Methyl 3-fluoropyridine-2-carboxylate

C₇H₆FNO₂CAS 869108-35-0155.13 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₇H₆FNO₂
Molar mass: 155.13 g/mol
Exact mass: 155.0383 Da
logP: 1.01Crippen estimate
Polar surface area: 39.2 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

869108-35-0

SMILES

COC(=O)C1=C(C=CC=N1)F

InChIKey

CZBVTGOJEKVWBB-UHFFFAOYSA-N

InChI

InChI=1S/C7H6FNO2/c1-11-7(10)6-5(8)3-2-4-9-6/h2-4H,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

3-Fluoro-pyridine-2-carboxylic acid methyl ester

Work with Methyl 3-fluoropyridine-2-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-966 % similar Methyl 3-methylpyridine-2-carboxylate59718-84-264 % similar Methyl 3-amino-2-pyridinecarboxylate36052-27-462 % similar Methyl 3-Hydroxy-2-pyridinecarboxylate62733-99-762 % similar 2-Acetyl-3-fluoropyridine87674-20-258 % similar 2-Fluoronicotinic acid methyl ester446-26-458 % similar Methyl 2,6-difluorobenzoate13671-00-657 % similar Methyl 2-fluorobenzoate394-35-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 6-Fluoronicotinic acid methyl ester1427-06-1 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 1-Fluoro-3-methyl-2-nitrobenzene3013-27-2 5-Fluoro-2-methoxynicotinaldehyde351410-62-3 2-Amino-6-fluorobenzoic acid434-76-4 2-Fluoro-1-methyl-3-nitrobenzene437-86-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook