2,6-Dichloro-5-fluoronicotinic acid

C₆H₂Cl₂FNO₂CAS 82671-06-5209.99 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₆H₂Cl₂FNO₂
Molar mass: 209.99 g/mol
Exact mass: 208.9447 Da
Melting point: 155–156 °C
logP: 2.23Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Identifiers

CAS number

82671-06-5

SMILES

O=C(O)c1cc(F)c(Cl)nc1Cl

InChIKey

LTDGKGCHRNNCAC-UHFFFAOYSA-N

InChI

InChI=1S/C6H2Cl2FNO2/c7-4-2(6(11)12)1-3(9)5(8)10-4/h1H,(H,11,12)

Weigh it out

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

Names and synonyms

2 names

3-Pyridinecarboxylic acid, 2,6-dichloro-5-fluoro-
2,6-Dichloro-5-fluoro-3-pyridinecarboxylic acid

Work with 2,6-Dichloro-5-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

2,6-Dichloro-5-fluoronicotinamide113237-20-061 % similar 2-Chloro-4,5-difluorobenzoic acid110877-64-057 % similar 4-Chloro-2,5-difluorobenzoic acid132794-07-156 % similar 2-Chloro-5-fluoronicotinic acid38186-88-855 % similar 2,4,5-Trifluorobenzoic acid446-17-355 % similar 3-Chloro-2,4,5-trifluorobenzoic acid101513-77-353 % similar 2-Chloro-3-quinolinecarboxylic acid73776-25-753 % similar 5-Chloro-2,4-difluorobenzoic acid130025-33-151 % similar

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

Same formula

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-8 1,3-Dichloro-2-fluoro-5-nitrobenzene3107-19-5 1,3-Dichloro-2-fluoro-4-nitrobenzene393-79-3

Elsewhere

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