Basic information
- Standard SMILES
O=C(O)c1ccncc1NCc1ccc(Cl)c(Cl)c1- InChIKey
IRAZPDXDKSGWPW-UHFFFAOYSA-N- Molecular formula
- C13H10Cl2N2O2
- Average molar mass
- 297.13 g/mol
Names & identifiers
- Preferred name
- 3-[(3,4-Dichlorobenzyl)amino]pyridine-4-carboxylic acid
- IUPAC
- 3-[(3,4-dichlorophenyl)methylamino]pyridine-4-carboxylic acid
Names & synonyms
3-[(3,4-dichlorobenzyl)amino]pyridine-4-carboxylic acidCHEMBL5768052SCHEMBL15818199SCHEMBL30299256IRAZPDXDKSGWPW-UHFFFAOYSA-NUS9611221, Example 14BDBM314110
Database identifiers
- PubChem CID
- 86728201
- ChEMBL
CHEMBL5768052
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 317
Related reactions
3 records
Compound notes
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