6-Fluoropyridine-2-carboxylic acid methyl ester

C7H6FNO2CAS 455-71-0155.13 g/mol

Open in Covalent MOL file
OOFN
Aryl halideEster

Properties

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

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
455-71-0
SMILES
COC(=O)c1cccc(F)n1
InChIKey
NMRCOWOPRPIBPQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)5-3-2-4-6(8)9-5/h2-4H,1H3

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Names and synonyms

3 names
  • 2-Pyridinecarboxylic acid, 6-fluoro-, methyl ester
  • Picolinic acid, 6-fluoro-, methyl ester
  • Methyl 6-fluoropyridine-2-carboxylate

Work with 6-Fluoropyridine-2-carboxylic acid methyl ester

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

Dimethyl 2,6-pyridinedicarboxylate5453-67-873 % similar Dimethyl 2,2'-bipyridine-6,6'-dicarboxylate142593-07-567 % similar 6-(Methoxycarbonyl)pyridine-2-carboxylic acid7170-36-764 % similar 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-463 % similar Methyl 6-chloropicolinate6636-55-163 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-761 % similar Methyl 6-methoxypyridine-2-carboxylate26256-72-461 % similar 6-Aminopicolinic acid methyl ester36052-26-361 % 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

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