Basic information
- Standard SMILES
COC(=O)c1ccc(C2CC2)c(Nc2ccc(Cl)cc2Cl)n1- InChIKey
RCGCWLYDAOBDNX-UHFFFAOYSA-N- Molecular formula
- C16H14Cl2N2O2
- Average molar mass
- 337.2 g/mol
- Monoisotopic mass
- 336.0432331
Names & identifiers
- Preferred name
- 5-Cyclopropyl-6-(2,4-dichloro-phenylamino)-pyridine-2-carboxylic acid methyl ester
- IUPAC
- methyl 5-cyclopropyl-6-(2,4-dichloroanilino)pyridine-2-carboxylate
Names & synonyms
SCHEMBL14151895RCGCWLYDAOBDNX-UHFFFAOYSA-N5-Cyclopropyl-6-(2,4-dichloro-phenylamino)-pyridine-2-carboxylic acid methyl ester
Database identifiers
- PubChem CID
- 71087396
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 406
Related reactions
6 records
Compound notes
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