3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol

C13H8Cl2N2O — CID 592301

IUPAC3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol
SMILESOC1c2ccc(Cl)cc2N=Nc2cc(Cl)ccc21
InChIInChI=1S/C13H8Cl2N2O/c14-7-1-3-9-11(5-7)16-17-12-6-8(15)2-4-10(12)13(9)18/h1-6,13,18H
InChIKeyXQNFYVCXWLJISJ-UHFFFAOYSA-N
MW279.13 g/mol
LogP4.80
Rot. Bonds

About 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol

3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol (PubChem CID 592301) has the molecular formula C13H8Cl2N2O and a molecular weight of 279.13 g/mol. Its IUPAC name is 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol.

Molecular Properties

Compound Name3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol
PubChem CID592301
Molecular FormulaC13H8Cl2N2O
Molecular Weight279.13 g/mol
Exact Mass278.00
IUPAC Name3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol
SMILESOC1c2ccc(Cl)cc2N=Nc2cc(Cl)ccc21
InChIInChI=1S/C13H8Cl2N2O/c14-7-1-3-9-11(5-7)16-17-12-6-8(15)2-4-10(12)13(9)18/h1-6,13,18H
InChIKeyXQNFYVCXWLJISJ-UHFFFAOYSA-N
XLogP4.80
TPSA44.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol?
The IUPAC name of 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol (CID 592301) is 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol.
What is the SMILES notation for 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol?
The canonical SMILES for 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol is OC1c2ccc(Cl)cc2N=Nc2cc(Cl)ccc21.
What is the InChIKey of 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol?
The InChIKey is XQNFYVCXWLJISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O/c14-7-1-3-9-11(5-7)16-17-12-6-8(15)2-4-10(12)13(9)18/h1-6,13,18H.
What are the key properties of 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol?
3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol has a molecular weight of 279.13 g/mol, XLogP of 4.80, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-dichloro-11H-benzo[c][1,2]benzodiazepin-11-ol is sourced from PubChem (CID 592301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).