| CAS Number | 1518073-36-3 |
| Catalog Number | AG01B2G1 |
| Chemical Name | 2-chloro-6-cyclopropylpyridine-4-carboxylic acid |
| IUPAC Name | 2-chloro-6-cyclopropylpyridine-4-carboxylic acid |
| InChI | InChI=1S/C9H8ClNO2/c10-8-4-6(9(12)13)3-7(11-8)5-1-2-5/h3-5H,1-2H2,(H,12,13) |
| InChI Key | CSZABJNHCVVZMX-UHFFFAOYSA-N |
| MDL Number | MFCD26024280 |
| Molecular Formula | C9H8ClNO2 |
| Molecular Weight | 197.6183 |
| SMILES | OC(C1=CC(C2CC2)=NC(Cl)=C1)=O |
| Synonyms | 2-chloro-6-cyclopropylpyridine-4-carboxylic acid,
1518073-36-3,
ZINC82910926,
AKOS021557735,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.618g/mol |
| Monoisotopic Mass | 197.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number