| CAS Number | 942511-70-8 |
| Catalog Number | AG00II0B(AGN-PC-0WB0W7) |
| Chemical Name | Ethyl 6-chloro-5-methylpyridine-3-carboxylate |
| IUPAC Name | ethyl 6-chloro-5-methylpyridine-3-carboxylate |
| InChI | InChI=1S/C9H10ClNO2/c1-3-13-9(12)7-4-6(2)8(10)11-5-7/h4-5H,3H2,1-2H3 |
| InChI Key | ARMQAPYXINXSLX-UHFFFAOYSA-N |
| MDL Number | MFCD20485595 |
| Molecular Formula | C9H10ClNO2 |
| Molecular Weight | 199.6342 |
| SMILES | ClC1(=NC=C(C(=O)OCC)C=C1C) |
| Synonyms | 942511-70-8,
Ethyl 6-chloro-5-methylnicotinate,
6-Chloro-5-methylnicotinic acid ethyl ester,
ethyl 6-chloro-5-methylpyridine-3-carboxylate,
6-chloro-5-methyl-nicotinic acid ethyl ester,
SCHEMBL990850,
KS-00001QAT,
ARMQAPYXINXSLX-UHFFFAOYSA-N,
MFCD20485595,
ZINC95929126,
AKOS022168319,
FCH1605859,
MH-0728,
OR310521,
AX8262108,
|
| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.634g/mol |
| Monoisotopic Mass | 199.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number