| CAS Number | 33331-57-6 |
| Catalog Number | AG01AIDX(AGN-PC-0N6MU8) |
| Chemical Name | ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate |
| IUPAC Name | ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate |
| InChI | InChI=1S/C12H11ClN2O2/c1-3-17-12(16)9-6-14-11-8(10(9)13)5-4-7(2)15-11/h4-6H,3H2,1-2H3 |
| InChI Key | HKTABMXYYNWMQH-UHFFFAOYSA-N |
| MDL Number | MFCD09837246 |
| Molecular Formula | C12H11ClN2O2 |
| Molecular Weight | 250.6809 |
| SMILES | CCOC(C1=C(Cl)C2=C(N=C(C=C2)C)N=C1)=O |
| Synonyms | Ethyl 4-chloro-7-methyl-1,8-naphthyridine-3-carboxylate,
33331-57-6,
SCHEMBL2022576,
CTK1B1809,
DTXSID10441809,
HKTABMXYYNWMQH-UHFFFAOYSA-N,
ZINC38541338,
AKOS000320279,
NE60985,
EN001987,
EN300-77527,
3-Carbethoxy-4-chloro-7-methyl-1,8-naphthyridine,
4-Chloro-7-methyl-[1,8]naphthyridine-3-carboxylic acid ethyl ester,
1,8-Naphthyridine-3-carboxylic acid, 4-chloro-7-methyl-, ethyl ester,
CID10562672,
|
| Complexity | 288 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.682g/mol |
| Monoisotopic Mass | 250.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 52.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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