| CAS Number | 30766-27-9 |
| Catalog Number | AG00I5RX(AGN-PC-00LWOE) |
| Chemical Name | 3-Pyridinecarboxylic acid, 5-nitro-, methyl ester |
| IUPAC Name | methyl 5-nitropyridine-3-carboxylate |
| InChI | InChI=1S/C7H6N2O4/c1-13-7(10)5-2-6(9(11)12)4-8-3-5/h2-4H,1H3 |
| InChI Key | QCOPSULUPWRTSS-UHFFFAOYSA-N |
| MDL Number | MFCD00235013 |
| Molecular Formula | C7H6N2O4 |
| Molecular Weight | 182.1335 |
| SMILES | [O-][N+](=O)c1cc(cnc1)C(=O)OC |
| Synonyms | Methyl 5-nitronicotinate,
30766-27-9,
Methyl 5-nitro-3-pyridinecarboxylate,
methyl 5-nitropyridine-3-carboxylate,
CTK5I2769,
MFCD00235013,
ZINC26897736,
AKOS005199248,
FT-0745841,
M60110,
3-Pyridinecarboxylic acid, 5-nitro-, methyl ester,
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| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.135g/mol |
| Monoisotopic Mass | 182.033g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 85A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number