chempirical

2-Fluoronicotinic acid methyl ester

C7H6FNO2CAS 446-26-4155.13 g/mol

Open in Covalent MOL file
OONF
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

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

Identifiers

CAS number
446-26-4
SMILES
COC(=O)C1=C(N=CC=C1)F
InChIKey
PJNHJXKXBSOLBH-UHFFFAOYSA-N
InChI
InChI=1S/C7H6FNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3

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Names and synonyms

1 names
  • Methyl 2-fluoronicotinate

Work with 2-Fluoronicotinic 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

2,3-Dimethyl 2,3-pyridinedicarboxylate605-38-966 % similar Methyl 2-methylnicotinate65719-09-764 % similar Methyl 2-aminopyridine-3-carboxylate14667-47-162 % similar Methyl 2-chloronicotinate40134-18-762 % similar Methyl 2-bromopyridine-3-carboxylate52718-95-362 % similar Methyl 3-fluoropyridine-2-carboxylate869108-35-058 % similar 2-Cyano-3-pyridinecarboxylic acid methyl ester75358-89-357 % similar Dimethyl phthalate131-11-356 % 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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