| CAS Number | 263270-38-8 |
| Catalog Number | AG01A7E8(AGN-PC-0WODLG) |
| Chemical Name | 2-(1H-1,2,4-Triazol-1-yl)pyridine-4-carboxylic acid |
| IUPAC Name | 2-(1,2,4-triazol-1-yl)pyridine-4-carboxylic acid |
| InChI | InChI=1S/C8H6N4O2/c13-8(14)6-1-2-10-7(3-6)12-5-9-4-11-12/h1-5H,(H,13,14) |
| InChI Key | NTTPOXNTFBISRL-UHFFFAOYSA-N |
| MDL Number | MFCD11128547 |
| Molecular Formula | C8H6N4O2 |
| Molecular Weight | 190.1588 |
| SMILES | N1(N=CN=C1)C1=NC=CC(=C1)C(=O)O |
| Synonyms | 2-(1H-1,2,4-triazol-1-yl)pyridine-4-carboxylic acid,
263270-38-8,
SCHEMBL7679748,
ZINC19812865,
AKOS000205934,
MCULE-7727697918,
NE14946,
EN300-58433,
Z1235963383,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.162g/mol |
| Monoisotopic Mass | 190.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number