Methyl 5-chloropyridazine-3-carboxylate
Product Specifications
- CAS
- 1256786-31-8
- MF
- C6H5ClN2O2
- Appearance
- yellow to off-white solid
- Synonym(s)
- 3-Pyridazinecarboxylic acid, 5-chloro-, methyl ester
- Shipping
- ambient temperature
- Storage
- 2-8°C
Methyl 5-chloropyridazine-3-carboxylate corresponds to CAS 1256786-31-8 and formula C6H5ClN2O2. A CAS lookup returns a single PubChem compound, CID 131699995, whose preferred title is Methyl 5-chloropyridazine-3-carboxylate. The current page wording is included among the official synonyms for that entry. The two naming orders therefore refer to the same methyl ester, chlorine locant, and pyridazine carbon framework.
SMILES COC(=O)C1=NN=CC(=C1)Cl encodes the methyl carboxylate group attached at position 3 and chlorine at position 5 of the diazine ring. The adjacent ring nitrogens remain explicit in the NN sequence. InChIKey GSBAQCWRCFSUHE-UHFFFAOYSA-N agrees with the page InChI and PubChem graph. Together these identifiers distinguish this arrangement from chloropyridazine esters that share elemental composition but place the substituents on different ring atoms. The ester oxygen arrangement is also explicit in the connection string.
Identity review should retain CAS 1256786-31-8 together with every locant in the compound name. If a structure file is compared, its carbonyl-to-methoxy ester connection and chlorine position can be checked against CID 131699995. Formula C6H5ClN2O2, the stated SMILES, and the InChIKey provide complementary tests for the selected graph. This combination resolves the catalog entry without extending it to another ester or to any characteristic absent from the verified compound data.