| CAS Number | 1426958-49-7 |
| Catalog Number | AG009X10(AGN-PC-0WABRE) |
| Chemical Name | 6-Amino-5-(4-chlorophenyl)pyridine-3-carboxylic acid |
| IUPAC Name | 6-amino-5-(4-chlorophenyl)pyridine-3-carboxylic acid |
| InChI | InChI=1S/C12H9ClN2O2/c13-9-3-1-7(2-4-9)10-5-8(12(16)17)6-15-11(10)14/h1-6H,(H2,14,15)(H,16,17) |
| InChI Key | VNVANSXPUFRFST-UHFFFAOYSA-N |
| MDL Number | MFCD23699522 |
| Molecular Formula | C12H9ClN2O2 |
| Molecular Weight | 248.6651 |
| SMILES | Clc1ccc(cc1)c1cc(cnc1N)C(=O)O |
| Synonyms | 6-AMINO-5-(4-CHLOROPHENYL)PYRIDINE-3-CARBOXYLIC ACID,
1426958-49-7,
KM5774,
ZINC95495525,
AKOS026673378,
V3225,
C12H9ClN2O2,
VNVANSXPUFRFST-UHFFFAOYSA-N,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.666g/mol |
| Monoisotopic Mass | 248.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 76.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number