chempirical

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

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

Type any one amount. The others follow from the molar mass.

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

Quinolinic acid89-00-963 % similar 2-Hydroxynicotinic acid609-71-261 % similar 2-Chloronicotinic acid2942-59-859 % similar 2-Methylnicotinic acid3222-56-859 % similar 2-Mercaptonicotinic acid38521-46-959 % similar 2-Aminonicotinic acid5345-47-159 % similar 2-(Trifluoromethyl)nicotinic acid131747-43-858 % similar 2-Phenyl-3-pyridinecarboxylic acid33421-39-557 % 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 2-Fluoroisonicotinic acid402-65-3 5-Fluoronicotinic acid402-66-4 1-Fluoro-3-nitrobenzene402-67-5 4-Fluoro-2-pyridinecarboxylic acid886371-78-4

Elsewhere

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