| CAS Number | 303146-25-0 |
| Catalog Number | AG00I5P3(AGN-PC-0K5O9T) |
| Chemical Name | 3-Pyridinecarboxylic acid, 6-chloro-5-cyano-2-methyl-, methyl ester |
| IUPAC Name | methyl 6-chloro-5-cyano-2-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C9H7ClN2O2/c1-5-7(9(13)14-2)3-6(4-11)8(10)12-5/h3H,1-2H3 |
| InChI Key | IEHHHLCMZAVILB-UHFFFAOYSA-N |
| MDL Number | MFCD01315275 |
| Molecular Formula | C9H7ClN2O2 |
| Molecular Weight | 210.6171 |
| SMILES | CC1=NC(=C(C=C1C(=O)OC)C#N)Cl |
| Synonyms | methyl 6-chloro-5-cyano-2-methylnicotinate,
303146-25-0,
methyl 6-chloro-5-cyano-2-methylpyridine-3-carboxylate,
AC1LSUH9,
SCHEMBL2227187,
KS-00001RTX,
DTXSID80362991,
IEHHHLCMZAVILB-UHFFFAOYSA-N,
ZINC1382949,
ZX-CM010113,
MFCD01315275,
AKOS005077934,
FCH1332548,
MCULE-6185811821,
11K-301S,
W-8177,
ZINC01382949,
CID1471652,
6-chloro-5-cyano-2-methylnicotinic acid methyl ester,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.617g/mol |
| Monoisotopic Mass | 210.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number