| CAS Number | 1200497-85-3 |
| Catalog Number | AG00HF8L(AGN-PC-0WAKU3) |
| Chemical Name | 5-Cyano-2-pyrimidinecarboxylic acid |
| IUPAC Name | 5-cyanopyrimidine-2-carboxylic acid |
| InChI | InChI=1S/C6H3N3O2/c7-1-4-2-8-5(6(10)11)9-3-4/h2-3H,(H,10,11) |
| InChI Key | VEPZLCHNICQZEA-UHFFFAOYSA-N |
| MDL Number | MFCD24448369 |
| Molecular Formula | C6H3N3O2 |
| Molecular Weight | 149.1069 |
| SMILES | c1c(cnc(n1)C(=O)O)C#N |
| Synonyms | 5-cyanopyrimidine-2-carboxylic acid,
1200497-85-3,
SCHEMBL8514583,
AKOS027324632,
ZINC141998601,
2-Pyrimidinecarboxylic acid, 5-cyano-,
5-?cyano-2-?Pyrimidinecarboxylic acid,
FT-0748823,
5-cyano-2-Pyrimidinecarboxylic acid,
|
| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 149.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 149.109g/mol |
| Monoisotopic Mass | 149.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 86.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number