2-Chloro-3-pyridineacetic acid

C₇H₆ClNO₂CAS 61494-55-1171.58 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

61494-55-1

SMILES

C1=CC(=C(N=C1)Cl)CC(=O)O

InChIKey

NOASBJYTBZMVKT-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

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

Work with 2-Chloro-3-pyridineacetic 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

1,2-Benzenediacetic acid7500-53-058 % similar (2-Chlorophenyl)acetic acid2444-36-257 % similar 2-Chloro-3-pyridinemethanol42330-59-656 % similar 1-Naphthaleneacetic acid86-87-356 % similar 2,3-Dichlorophenylacetic acid10236-60-954 % similar (2-Chloropyridin-3-yl)methanamine205744-14-551 % similar 2-Chloronicotinic acid2942-59-851 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-351 % 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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