Basic information
- CAS
1812-32-4- Standard SMILES
O=C1CN=C(c2ccccn2)c2cc(Cl)ccc2N1- InChIKey
CKHOGGVBRBKWBE-UHFFFAOYSA-N- Molecular formula
- C14H10ClN3O
- Average molar mass
- 271.7 g/mol
- Monoisotopic mass
- 271.05123962
Names & identifiers
- Preferred name
- 7-Chloro-5-(2-pyridinyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one
- IUPAC
- 7-chloro-5-pyridin-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
Names & synonyms
1812-32-47-Chloro-5-(2-pyridinyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-oneNSC147409NSC 147409NSC-1474097-chloro-5-(pyridin-2-yl)-1,3-dihydro-2h-1,4-benzodiazepin-2-oneEV6F4CWV67SCHEMBL7377690DTXSID00171082CKHOGGVBRBKWBE-UHFFFAOYSA-NNCGC00188852-017-chloro-5-(2-pyridyl)-3H-1,4-benzodiazepin-2(1H)-one
Show more names
7-chloro-5-(2-pyridyl)-1,3-dihydro-1,4-benzodiazepin-2-one7-Chloro-1,3-dihydro-5-(2-pyridinyl)-2H-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-1,3-dihydro-5-(2-pyridinyl)-
Database identifiers
- CAS
1812-32-4- PubChem CID
- 287401
- DTXSID
DTXSID00171082- UNII
- EV6F4CWV67
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Related reactions
1 records
Compound notes
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