chempirical

3-Fluoropyridine-2-carboxylic acid

C6H4FNO2CAS 152126-31-3141.10 g/mol

Open in Covalent MOL file
NOOHF
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4FNO2
Molar mass
141.10 g/mol
Exact mass
141.0226 Da
logP
0.92Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
152126-31-3
SMILES
C1=CC(=C(N=C1)C(=O)O)F
InChIKey
IRERRSXDWUCFIY-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-4-2-1-3-8-5(4)6(9)10/h1-3H,(H,9,10)

Weigh it out

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Work with 3-Fluoropyridine-2-carboxylic acid

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

Quinolinic acid339155-13-463 % similar Quinolinic acid89-00-963 % similar 3-Bromopyridine-2-carboxylic acid30683-23-961 % similar 3-Hydroxypicolinic acid874-24-861 % similar 3-Aminopicolinic acid1462-86-859 % similar 3-Methylpicolinic acid4021-07-259 % similar 2,3-Pyrazinedicarboxylic acid89-01-055 % similar 2,6-Difluorobenzoic acid385-00-253 % similar

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

Same formula

5-Fluoropyridine-2-carboxylic acid107504-08-5 3-Fluoro-5-hydroxy-2-pyridinecarboxaldehyde1227515-00-5 1-Fluoro-2-nitrobenzene1493-27-2 4-Fluoronitrobenzene350-46-9 3-Fluoropyridine-4-carboxylic acid393-53-3 2-Fluoronicotinic acid393-55-5 2-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4

Elsewhere

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