CAS Registry Number: 40134-18-7

Name:

3-​Pyridinecarboxylic acid, 2-​chloro-​, methyl ester
Nicotinic acid, 2-​chloro-​, methyl ester (6CI); 2-​Chloro-​3-​methoxycarbonylpyrid​ine; 2-​Chloronicotinic acid methyl ester; Methyl 2-​chloronicotinate; Methyl 2-​chloropyridine-​3-​carboxylate 

Chemical Formula: C7H6ClNO2
Exact Mass: 171.01
Molecular Weight: 171.58
m/z: 171.01 (100.0%), 173.01 (32.4%), 172.01 (8.1%), 174.01 (2.5%)
Elemental Analysis: C, 49.00; H, 3.52; Cl, 20.66; N, 8.16; O, 18.65

InChI: InChI=1S/C7H6ClNO2/c1-11-7(10)5-3-2-4-9-6(5)8/h2-4H,1H3
InChIKey: MYGAJZBZLONIBZ-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=C(N=CC=C1)Cl

Specification

98%

1. (1) Gol'dfarb, Ya. L.; Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya 1961, P360-2 CAPLUS
2. (2) Bernstein, Jack; US 2713049 1955 CAPLUS
3. (3) Okawa, Tomohiro; Tetrahedron 1997, V53(47), P16061-16082 CAPLUS