2-(6-Chloropyridin-3-yl)acetic acid

C₇H₆ClNO₂CAS 39891-13-9171.58 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₇H₆ClNO₂
Molar mass: 171.58 g/mol
Exact mass: 171.0087 Da
logP: 1.36Crippen estimate
Polar surface area: 50.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

39891-13-9

SMILES

C1=CC(=NC=C1CC(=O)O)Cl

InChIKey

XWVPSJPQWOVRHJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H6ClNO2/c8-6-2-1-5(4-9-6)3-7(10)11/h1-2,4H,3H2,(H,10,11)

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Names and synonyms

1 names

2-Chloropyridine-5-acetic acid

Work with 2-(6-Chloropyridin-3-yl)acetic 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

1,4-Benzenediacetic acid7325-46-457 % similar (4-Chlorophenyl)acetic acid1878-66-656 % similar (6-Chloropyridin-3-yl)methanol21543-49-753 % similar 3-Pyridineacetic acid501-81-551 % similar 3,4-Dichlorophenylacetic acid5807-30-751 % similar 1,3-Benzenediacetic acid19806-17-850 % similar 2-Chloro-5-(chloromethyl)pyridine70258-18-350 % similar 6-Chloronicotinic acid5326-23-849 % similar

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

Same formula

4-Nitrobenzyl chloride100-14-1 2-Chloro-4-nitrotoluene121-86-8 1-Chloro-2-methyl-4-nitrobenzene13290-74-9 2-Amino-6-chlorobenzoic acid2148-56-3 3-Amino-5-chlorobenzoic acid21961-30-8 Methyl 4-chloropicolinate24484-93-3 4-Amino-2-chlorobenzoic acid2457-76-3 4-Amino-3-chlorobenzoic acid2486-71-7

Elsewhere

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