Methyl 5-fluoro-6-methoxynicotinate

Basic Information

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CAS Number

953780-40-0

Molecular Formula

C8H8FNO3

Molecular Weight

185.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Electronic Chemicals Semiconductor Materials Etchants

Basic Physical Properties

Boiling Point

242.2±40.0°C at 760 mmHg

SMILES

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COC1=C(C=C(C=N1)C(=O)OC)F

InChI

InChI=1S/C8H8FNO3/c1-12-7-6(9)3-5(4-10-7)8(11)13-2/h3-4H,1-2H3

InChIKey

HJBPCUZDKHCJRR-UHFFFAOYSA-N

LogP

1.0158999999999998

Topological Polar Surface Area

48.42 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

188

Safety Information

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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

Methyl 5-fluoro-6-methoxynicotinate
METHYL 5-FLUORO-2-METHOXYNICOTINATE
Methyl 5-fluoro-6-methoxynicotite
methyl 5-fluoro-6-methoxypyridine-3-carboxylate
AK128807
HJBPCUZDKHCJRR-UHFFFAOYSA-N
FCH1153406
AX8250869
ST2419598
Z5402
Methyl 3-fluoro-2-methoxy-5-pyridinecarboxylate
Methyl 5-fluoro-6-methoxypyridine-3-carboxylate
SCHEMBL1063745
MFCD14698157
AKOS016000677
Methyl5-fluoro-6-methoxynicotinate
SY103109
DS-1609
953780-40-0
CS-0061918
DB-125314

MDL Number

MFCD14698157

FAQ

What is Methyl 5-fluoro-6-methoxynicotinate (CAS: 953780-40-0)?

Methyl 5-fluoro-6-methoxynicotinate is an organic compound with the chemical formula C9H10FN2O3. This molecule is characterized by its aromatic nature and contains a fluoro and methoxy substituent. It is mainly used in pharmaceutical research and development for its potential as a bioisostere in drug design.

What are the main uses of Methyl 5-fluoro-6-methoxynicotinate (CAS: 953780-40-0)?

Methyl 5-fluoro-6-methoxynicotinate is primarily used in the pharmaceutical industry as a research compound. It serves as a structural analog in drug design, particularly in the development of new drugs with similar biological properties to nicotinic acid derivatives. Its use in the food or industrial sectors is limited and is mainly confined to laboratory settings.

Is Methyl 5-fluoro-6-methoxynicotinate (CAS: 953780-40-0) safe?

Methyl 5-fluoro-6-methoxynicotinate is generally considered safe when handled with appropriate precautions. However, it should be managed with care due to its potential irritant properties. Users are advised to wear personal protective equipment (PPE) such as gloves and goggles. It is also important to ensure proper ventilation in the work area.

How should Methyl 5-fluoro-6-methoxynicotinate (CAS: 953780-40-0) be stored?

Methyl 5-fluoro-6-methoxynicotinate should be stored in a cool, dry place away from direct sunlight and heat sources. It is recommended to keep it in a sealed container to prevent degradation. Humidity and temperature should be controlled to maintain the stability of the compound. Proper labeling and documentation should be maintained to ensure safe handling and storage.