chempirical

4-Chloronicotinic acid

C6H4ClNO2CAS 10177-29-4157.55 g/mol

Open in Covalent MOL file
NClOOH
Aryl halideCarboxylic acid

Properties

Molecular formula
C6H4ClNO2
Molar mass
157.55 g/mol
Exact mass
156.9931 Da
logP
1.43Crippen estimate
Polar surface area
50.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
10177-29-4
SMILES
C1=CN=CC(=C1Cl)C(=O)O
InChIKey
IMRGVWZLCZERSQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO2/c7-5-1-2-8-3-4(5)6(9)10/h1-3H,(H,9,10)

Weigh it out

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

Work with 4-Chloronicotinic 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

Cinchomeronic acid490-11-967 % similar 4-Methylnicotinic acid3222-50-259 % similar 3-Hydroxy-4-pyridinecarboxylic acid10128-71-956 % similar 3-Bromoisonicotinic acid13959-02-954 % similar 2,5-Dichlorobenzoic acid50-79-353 % similar 4,6-Dichloronicotinic acid73027-79-953 % similar 2,5-Dichloro-1,4-benzenedicarboxylic acid13799-90-152 % similar 4,5-Dichlorophthalic acid56962-08-452 % similar

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

Same formula

4-Nitrochlorobenzene100-00-5 3-Nitrochlorobenzene121-73-3 2-Chloronicotinic acid2942-59-8 6-Chloropicolinic acid4684-94-0 6-Chloronicotinic acid5326-23-8 2-Chloroisonicotinic acid6313-54-8 2-Nitrochlorobenzene88-73-3

Elsewhere

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