2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile | CAS No. 612487-72-6

2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile

Basic Information

CAS Number

612487-72-6

Molecular Formula

C19H18N4O2

Molecular Weight

17.03 g/mol

AD

Basic Physical Properties

Boiling Point

594°C at 760 mmHg

Density

1.40±0.1 g/cm3 (20 ºC 760 Torr),

C1COCCN1CC2=CN=C(C=C2)C3=C(NC4=C3C=C(C=C4)C#N)O

InChI

InChI=1S/C19H18N4O2/c20-10-13-1-3-16-15(9-13)18(19(24)22-16)17-4-2-14(11-21-17)12-23-5-7-25-8-6-23/h1-4,9,11,22,24H,5-8,12H2

InChIKey

BLTVBQXJFVRPFK-UHFFFAOYSA-N

LogP

0.16199999999999998

Topological Polar Surface Area

35.0 Ų

Hydrogen Bond Donor/Acceptor

3 / 1

Complexity

501

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • AZD1080
  • 2-hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
  • 3-[5-(morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile
  • AZD 1080​
  • AZD-1080
  • 0TII45R8IJ
  • AZD 1080
  • AK198951
  • 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile
  • 2-Hydroxy-3-[5-[(morpholin-4-yl)methyl]pyridin-2-yl]-1H-indole-5-carbonitrile
  • 1H-INDOLE-5-CARBONITRILE, 2-HYDROXY-3-[5-(4-MORPHOLINYLMETHYL)-2-PYRIDINYL]-
  • 2-Hydroxy-3-(5-((morpholin-4-yl)methyl)pyridin-2-yl)-1H-indole-5-carbonitrile
  • (3Z)-3-[5-(Morpholin-4-ylmethyl)-1H-pyridin-2-ylidene]-2-oxo-1H-indole-5-carbonitrile
  • 1H-Indole-5-carbonitril
  • SCHEMBL394519
  • AKOS032947292
  • DTXSID70678598
  • UNII-0TII45R8IJ
  • CID 24781302
  • 1H-Indole-5-carbonitrile, 2-hydroxy-3-(5-(4-morpholinylmethyl)-2-pyridinyl)-
  • SW219647-1
  • s7145
  • HMS3886F11
  • HY-13862
  • HMS3653I11
  • 2-Hydroxy-3-[5-(morpholin-4-ylmethyl)pyridin-2-yl]-1H-indole-5-carbonitrile
  • SCHEMBL18642421
  • AKOS026674123
  • NCGC00386283-04
  • KB-160506
  • BDBM50267626

MDL Number

MFCD12031593

FAQ

What are the physical and chemical properties of 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile (CAS: 612487-72-6)?

2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile is a crystalline solid with a molecular weight of approximately 361.38 g/mol. It has limited water solubility and is not highly reactive under normal conditions. The compound is stable under standard laboratory conditions but may degrade under strongly acidic or basic conditions.

How is 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile (CAS: 612487-72-6) typically synthesized?

2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile is synthesized through a multi-step process involving the coupling of a pyridine derivative and a morpholine ring. The reaction is typically catalyzed by a palladium complex, with a yield of around 85%. The process requires careful control of temperature and reagent proportions to achieve high selectivity.

What industries use 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile (CAS: 612487-72-6)?

2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile is primarily used in the pharmaceutical industry for its potential as a bioactive compound. It is also explored for its applications in the development of new materials, particularly in the area of sensors and semiconductors.

What precautions should be taken when handling 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile (CAS: 612487-72-6)?

When handling 2-hydroxy-3-(5-(morpholinomethyl)pyridin-2-yl)-1H-indole-5-carbonitrile, it is essential to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight. In case of a spill, it should be handled in a fume hood, and the Material Safety Data Sheet (MSDS) should be consulted for specific instructions.

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