2-Chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione
Basic information
- CAS
7248-75-1- Standard SMILES
O=C1C(Cl)=C(Nc2ccccn2)C(=O)c2ccccc21- InChIKey
KOFBPJOIBUBKJD-UHFFFAOYSA-N- Molecular formula
- C15H9ClN2O2
- Average molar mass
- 284.69 g/mol
- Monoisotopic mass
- 284.0352552
Names & identifiers
- Preferred name
- 2-Chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione
- IUPAC
- 2-chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione
Names & synonyms
2-chloro-3-(pyridin-2-ylamino)naphthalene-1,4-dione7248-75-1NSC40344SCHEMBL13411338DTXSID80285055NSC-403442-Chloro-3-(pyridin-2-ylamino)naphthoquinone2-chloro-3-(2-pyridylamino)naphthalene-1,4-dione2-Chloro-3-[(pyridin-2-yl)amino]naphthalene-1,4-dione
Database identifiers
- CAS
7248-75-1- PubChem CID
- 237104
- DTXSID
DTXSID80285055
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 461
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Compound notes
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