2-chlorobenzo[cd]indole

C11H6ClN — CID 19914569

IUPAC2-chlorobenzo[cd]indole
SMILESClC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H6ClN/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H
InChIKeyXBEGHQOEVZOXBT-UHFFFAOYSA-N
MW187.63 g/mol
LogP3.47
Rot. Bonds

About 2-chlorobenzo[cd]indole

2-chlorobenzo[cd]indole (PubChem CID 19914569) has the molecular formula C11H6ClN and a molecular weight of 187.63 g/mol. Its IUPAC name is 2-chlorobenzo[cd]indole.

Molecular Properties

Compound Name2-chlorobenzo[cd]indole
PubChem CID19914569
Molecular FormulaC11H6ClN
Molecular Weight187.63 g/mol
Exact Mass187.02
IUPAC Name2-chlorobenzo[cd]indole
SMILESClC1=Nc2cccc3cccc1c23
InChIInChI=1S/C11H6ClN/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H
InChIKeyXBEGHQOEVZOXBT-UHFFFAOYSA-N
XLogP3.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chlorobenzo[cd]indole?
The IUPAC name of 2-chlorobenzo[cd]indole (CID 19914569) is 2-chlorobenzo[cd]indole.
What is the SMILES notation for 2-chlorobenzo[cd]indole?
The canonical SMILES for 2-chlorobenzo[cd]indole is ClC1=Nc2cccc3cccc1c23.
What is the InChIKey of 2-chlorobenzo[cd]indole?
The InChIKey is XBEGHQOEVZOXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClN/c12-11-8-5-1-3-7-4-2-6-9(13-11)10(7)8/h1-6H.
What are the key properties of 2-chlorobenzo[cd]indole?
2-chlorobenzo[cd]indole has a molecular weight of 187.63 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorobenzo[cd]indole is sourced from PubChem (CID 19914569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).