| CAS Number | 217811-63-7 |
| Catalog Number | AG00BINO(AGN-PC-0WCMFN) |
| Chemical Name | methyl 2-chloro-4-methylpyridine-3-carboxylate |
| IUPAC Name | methyl 2-chloro-4-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C8H8ClNO2/c1-5-3-4-10-7(9)6(5)8(11)12-2/h3-4H,1-2H3 |
| InChI Key | RJQVQDYEBIHZKH-UHFFFAOYSA-N |
| MDL Number | MFCD15146644 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | CC1=C(C(=NC=C1)Cl)C(=O)OC |
| Synonyms | METHYL 2-CHLORO-4-METHYLNICOTINATE,
217811-63-7,
methyl 2-chloro-4-methylpyridine-3-carboxylate,
SCHEMBL1563063,
DTXSID90591371,
RJQVQDYEBIHZKH-UHFFFAOYSA-N,
ZINC38540142,
AJ-96350,
2-Chloro-4-methylnicotinic acid methyl ester,
2-Chloro-4-methyl-nicotinic acid methyl ester,
Methyl 2-chloro-4-methyl-3-pyridinecarboxylate,
3-Pyridinecarboxylic acid, 2-chloro-4-methyl-, methyl ester,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number