chempirical

2-Fluoroisonicotinic acid

C6H4FNO2CAS 402-65-3141.10 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
195–197 °C
logP
0.92Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
402-65-3
SMILES
O=C(O)c1ccnc(F)c1
InChIKey
JMPFWDWYGOWUFP-UHFFFAOYSA-N
InChI
InChI=1S/C6H4FNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

5 names
  • 4-Pyridinecarboxylic acid, 2-fluoro-
  • Isonicotinic acid, 2-fluoro-
  • 2-Fluoro-4-pyridinecarboxylic acid
  • 2-Fluoropyridine-4-carboxylic acid
  • NSC 402973

Work with 2-Fluoroisonicotinic 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

Lutidinic acid499-80-965 % similar 2-Chloroisonicotinic acid6313-54-861 % similar 2-(Trifluoromethyl)isonicotinic acid131747-41-660 % similar 3-Fluorobenzoic acid455-38-956 % similar 2-Methoxy-4-pyridinecarboxylic acid105596-63-256 % similar [2,2′-Bipyridine]-4-carboxylic acid1748-89-656 % similar Isophthalic acid121-91-555 % similar 4′-Methyl[2,2′-bipyridine]-4-carboxylic acid103946-54-954 % 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-Fluoronicotinic acid393-55-5 5-Fluoronicotinic acid402-66-4 1-Fluoro-3-nitrobenzene402-67-5 4-Fluoro-2-pyridinecarboxylic acid886371-78-4

Elsewhere

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