| CAS Number | 1256833-56-3 |
| Catalog Number | AG00IS9P(AGN-PC-0WAZDC) |
| Chemical Name | 5-Chloro-3-cyanopyridine-2-carboxylic acid |
| IUPAC Name | 5-chloro-3-cyanopyridine-2-carboxylic acid |
| InChI | InChI=1S/C7H3ClN2O2/c8-5-1-4(2-9)6(7(11)12)10-3-5/h1,3H,(H,11,12) |
| InChI Key | FIQQYYHLOMZXKH-UHFFFAOYSA-N |
| MDL Number | MFCD18260051 |
| Molecular Formula | C7H3ClN2O2 |
| Molecular Weight | 182.5639 |
| SMILES | ClC1(=CN=C(C(=O)O)C(=C1)C#N) |
| Synonyms | 5-chloro-3-cyanopyridine-2-carboxylic acid,
1256833-56-3,
5-Chloro-3-cyanopicolinic acid,
2-Pyridinecarboxylic acid, 5-chloro-3-cyano-,
2-Carboxy-5-chloronicotinonitrile,
KS-000024VN,
ZX-AT014075,
MFCD18260051,
ZINC71289178,
AKOS015991398,
EF-0728,
FCH1152262,
MCULE-6714741850,
OR61368,
RP10966,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.988g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.563g/mol |
| Monoisotopic Mass | 181.988g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number