8-chloroisoquinoline

C9H6ClN — CID 640954

IUPAC8-chloroisoquinoline
SMILESClc1cccc2ccncc12
InChIInChI=1S/C9H6ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H
InChIKeyOXAMVYYZTULFIB-UHFFFAOYSA-N
MW163.61 g/mol
LogP2.89
Rot. Bonds

About 8-chloroisoquinoline

8-chloroisoquinoline (PubChem CID 640954) has the molecular formula C9H6ClN and a molecular weight of 163.61 g/mol. Its IUPAC name is 8-chloroisoquinoline.

Molecular Properties

Compound Name8-chloroisoquinoline
PubChem CID640954
Molecular FormulaC9H6ClN
Molecular Weight163.61 g/mol
Exact Mass163.02
IUPAC Name8-chloroisoquinoline
SMILESClc1cccc2ccncc12
InChIInChI=1S/C9H6ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H
InChIKeyOXAMVYYZTULFIB-UHFFFAOYSA-N
XLogP2.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 8-chloroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-chloroisoquinoline?
The IUPAC name of 8-chloroisoquinoline (CID 640954) is 8-chloroisoquinoline.
What is the SMILES notation for 8-chloroisoquinoline?
The canonical SMILES for 8-chloroisoquinoline is Clc1cccc2ccncc12.
What is the InChIKey of 8-chloroisoquinoline?
The InChIKey is OXAMVYYZTULFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN/c10-9-3-1-2-7-4-5-11-6-8(7)9/h1-6H.
What are the key properties of 8-chloroisoquinoline?
8-chloroisoquinoline has a molecular weight of 163.61 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloroisoquinoline is sourced from PubChem (CID 640954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).