2-Fluoronicotinic acid

C6H4FNO2CAS 393-55-5141.10 g/mol

Open in Covalent MOL file
OHONF
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4FNO2
Molar mass
141.10 g/mol
Exact mass
141.0226 Da
Melting point
164–165 °C (decomposes)
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 48 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
393-55-5
SMILES
O=C(O)c1cccnc1F
InChIKey
LLLVHTWJGWNRBD-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-5-4(6(9)10)2-1-3-8-5/h1-3H,(H,9,10)

Weigh it out

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Names and synonyms

4 names
  • 3-Pyridinecarboxylic acid, 2-fluoro-
  • Nicotinic acid, 2-fluoro-
  • 2-Fluoro-3-pyridinecarboxylic acid
  • NSC 51588

Work with 2-Fluoronicotinic 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

2,2'-Bipyridine-3,3'-dicarboxylic acid4433-01-667 % similar Quinolinic acid339155-13-463 % similar Quinolinic acid89-00-963 % similar 2,3-Difluoropyridine-4-carboxylic acid851386-31-762 % similar 2-Hydroxynicotinic acid609-71-261 % similar 2-Chloronicotinic acid2942-59-859 % similar 2-Methylnicotinic acid3222-56-859 % similar 2-Bromonicotinic acid35905-85-259 % 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-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-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4

Elsewhere

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