5-Fluoropyridine-2-carboxylic acid

C6H4FNO2CAS 107504-08-5141.10 g/mol

Open in Covalent MOL file
OHOFN
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4FNO2
Molar mass
141.10 g/mol
Exact mass
141.0226 Da
Melting point
156–158 °C
logP
0.92Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 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
107504-08-5
SMILES
O=C(O)c1ccc(F)cn1
InChIKey
JTKFIIQGMVKDNZ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)

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Names and synonyms

3 names
  • 2-Pyridinecarboxylic acid, 5-fluoro-
  • 5-Fluoro-2-pyridinecarboxylic acid
  • 5-Fluoropicolinic acid

Work with 5-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

2,5-Pyridinedicarboxylic acid100-26-561 % similar 5-Hydroxypyridine-2-carboxylic acid15069-92-859 % similar 5-Aminopicolinic acid24242-20-458 % similar 5-Bromopyridine-2-carboxylic acid30766-11-158 % similar 5-Chloropyridine-2-carboxylic acid86873-60-158 % similar 2,5-Pyrazinedicarboxylic acid122-05-457 % similar 5-(Trifluoromethyl)pyridine-2-carboxylic acid80194-69-057 % similar 4-Fluoro-2-pyridinecarboxylic acid886371-78-456 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-5-hydroxypicolinaldehyde1227515-00-5 1-Fluoro-2-nitrobenzene1493-27-2 3-Fluoropyridine-2-carboxylic acid152126-31-3 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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