4-Pyridazinecarbonitrile, 5,6-bis(2-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-
Basic information
- CAS
75660-48-9- Standard SMILES
N#Cc1c(-c2ccccc2Cl)c(-c2ccccc2Cl)nn(CCO)c1=O- InChIKey
OBHKGLRTZUIUQY-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(2-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-
- IUPAC
- 5,6-bis(2-chlorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile
Names & synonyms
75660-48-94-Pyridazinecarbonitrile, 5,6-bis(2-chlorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-NSC3624504-PYRIDAZINECARBONITRILE,5,6-BIS(2-CHLOROPHENYL)-2,3-DIHYDRO-2-(2-HYDROXYETHYL)-3-OXO-CHEMBL31705DTXSID10226572NSC 362450NSC-362450DS-0154035,6-bis(2-chlorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydropyridazine-4-carbonitrile
Database identifiers
- CAS
75660-48-9- PubChem CID
- 100758
- DTXSID
DTXSID10226572- ChEMBL
CHEMBL31705
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
- 667
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Related reactions
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Compound notes
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