| CAS Number | 1221791-98-5 |
| Catalog Number | AG00IWF7(AGN-PC-0WAYVF) |
| Chemical Name | 3-cyano-6-cyclopropylpyridine-2-carboxylic acid |
| IUPAC Name | 3-cyano-6-cyclopropylpyridine-2-carboxylic acid |
| InChI | InChI=1S/C10H8N2O2/c11-5-7-3-4-8(6-1-2-6)12-9(7)10(13)14/h3-4,6H,1-2H2,(H,13,14) |
| InChI Key | NYZGRUMLPUNICU-UHFFFAOYSA-N |
| MDL Number | MFCD16140342 |
| Molecular Formula | C10H8N2O2 |
| Molecular Weight | 188.1827 |
| SMILES | N#Cc1ccc(C2CC2)nc1C(=O)O |
| Synonyms | 3-cyano-6-cyclopropyl-2-pyridinecarboxylic acid,
1221791-98-5,
3-cyano-6-cyclopropylpyridine-2-carboxylic acid,
3-Cyano-6-cyclopropylpicolinic acid,
CTK7C8252,
KS-000023RJ,
ZX-RL003078,
cyanocyclopropylpyridinecarboxylicacid,
FCH925177,
MFCD16140342,
SBB090745,
ZINC43827989,
AKOS005072152,
CE-0755,
MCULE-8806120785,
RP11158,
OR303855,
AJ-108955,
TR-071114,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 188.186g/mol |
| Monoisotopic Mass | 188.059g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number