4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-
Basic information
- CAS
75644-05-2- Standard SMILES
N#Cc1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCO)c1=O- InChIKey
XYKMDIKOEHWYBP-UHFFFAOYSA-N- Molecular formula
- C19H13Cl2N3O2
- Average molar mass
- 386.2 g/mol
- Monoisotopic mass
- 385.0384821
Names & identifiers
- Preferred name
- 4-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-
- IUPAC
- 5,6-bis(4-chlorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile
Names & synonyms
MLS00270184275644-05-24-Pyridazinecarbonitrile, 5,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-NSC351478CHEMBL31742SCHEMBL10976097DTXSID40226565NSC 351478NSC-351478NCI60_003139SMR0015654344-Pyridazinecarbonitrile,6-bis(4-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-
Show more names
5,6-Bis(4-chlorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile
Database identifiers
- CAS
75644-05-2- PubChem CID
- 100710
- DTXSID
DTXSID40226565- ChEMBL
CHEMBL31742
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 651
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Related reactions
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Compound notes
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