chempirical

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

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 6-Methylpyridine-2-carboxylic acid methyl ester13602-11-463 % similar Methyl 6-bromo-2-pyridinecarboxylate26218-75-761 % similar Methyl 6-(hydroxymethyl)picolinate39977-44-161 % similar Methyl5-fluoro-6-methylpicolinate1245647-61-354 % similar Methyl picolinate2459-07-653 % similar Methyl 2-chloropyrimidine-4-carboxylate149849-94-553 % similar Methyl m-fluorobenzoate455-68-547 % similar

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

Same formula

Methyl 5-fluoropyridine-2-carboxylate107504-07-4 2-Fluoro-1-methyl-4-nitrobenzene1427-07-2 3-Amino-4-fluorobenzoic acid2365-85-7 2-Amino-5-fluorobenzoic acid446-08-2 4-Fluoro-1-methyl-2-nitrobenzene446-10-6 2-Amino-4-fluorobenzoic acid446-32-2 4-Fluoro-2-methyl-1-nitrobenzene446-33-3 2-Fluoro-4-methyl-1-nitrobenzene446-34-4

Elsewhere

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