CAS Registry Number: 29682-14-2

Name:

2-​Pyridinecarboxylic acid, 5-​nitro-​, methyl ester
Picolinic acid, 5-​nitro-​, methyl ester (8CI); 2-​(Methoxycarbonyl)​-​5-​nitropyridine; 5-​Nitropicolinic acid methyl ester; 5-​Nitropyridine-​2-​carboxylic acid methyl ester; Methyl 5-​nitro-​2-​pyridinecarboxylate; Methyl 5-​nitropicolinate 

Chemical Formula: C7H6N2O4
Exact Mass: 182.03
Molecular Weight: 182.13
m/z: 182.03 (100.0%), 183.04 (7.8%), 184.04 (1.1%)
Elemental Analysis: C, 46.16; H, 3.32; N, 15.38; O, 35.14

InChI: InChI=1S/C7H6N2O4/c1-13-7(10)6-3-2-5(4-8-6)9(11)12/h2-4H,1H3
InChIKey: WBJDJRHSHXTRAT-UHFFFAOYSA-N
Canonical SMILES : COC(=O)C1=NC=C(C=C1)[N+](=O)[O-]

Specification

98%

1. (1) Stover, James S.; Journal of the American Chemical Society 2009, V131(9), P3342-3348 CAPLUS
2. (2) Finch, Neville; Journal of Medicinal Chemistry 1978, V21(12), P1269-74 CAPLUS
3. (3) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
4. (4) Deady, L. W.; Organic Magnetic Resonance 1975, V7(1), P41-5 CAPLUS