6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

C9H10Cl2N2 — CID 83821692

IUPAC6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESClc1ccc(Cl)c2c1CNCCN2
InChIInChI=1S/C9H10Cl2N2/c10-7-1-2-8(11)9-6(7)5-12-3-4-13-9/h1-2,12-13H,3-5H2
InChIKeyHIFIDXRZIVDGQX-UHFFFAOYSA-N
MW217.10 g/mol
LogP2.51
Rot. Bonds

About 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (PubChem CID 83821692) has the molecular formula C9H10Cl2N2 and a molecular weight of 217.10 g/mol. Its IUPAC name is 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.

Molecular Properties

Compound Name6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
PubChem CID83821692
Molecular FormulaC9H10Cl2N2
Molecular Weight217.10 g/mol
Exact Mass216.02
IUPAC Name6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine
SMILESClc1ccc(Cl)c2c1CNCCN2
InChIInChI=1S/C9H10Cl2N2/c10-7-1-2-8(11)9-6(7)5-12-3-4-13-9/h1-2,12-13H,3-5H2
InChIKeyHIFIDXRZIVDGQX-UHFFFAOYSA-N
XLogP2.51
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.10
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The IUPAC name of 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine (CID 83821692) is 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine.
What is the SMILES notation for 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The canonical SMILES for 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is Clc1ccc(Cl)c2c1CNCCN2.
What is the InChIKey of 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
The InChIKey is HIFIDXRZIVDGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2/c10-7-1-2-8(11)9-6(7)5-12-3-4-13-9/h1-2,12-13H,3-5H2.
What are the key properties of 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine?
6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine has a molecular weight of 217.10 g/mol, XLogP of 2.51, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-dichloro-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine is sourced from PubChem (CID 83821692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).