2-chloroquinoline

C9H6ClN — CID 11928

IUPAC2-chloroquinoline
SMILESClc1ccc2ccccc2n1
InChIInChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyOFUFXTHGZWIDDB-UHFFFAOYSA-N
MW163.61 g/mol
LogP2.89
Rot. Bonds

About 2-chloroquinoline

2-chloroquinoline (PubChem CID 11928) has the molecular formula C9H6ClN and a molecular weight of 163.61 g/mol. Its IUPAC name is 2-chloroquinoline.

Molecular Properties

Compound Name2-chloroquinoline
PubChem CID11928
Molecular FormulaC9H6ClN
Molecular Weight163.61 g/mol
Exact Mass163.02
IUPAC Name2-chloroquinoline
SMILESClc1ccc2ccccc2n1
InChIInChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChIKeyOFUFXTHGZWIDDB-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloroquinoline?
The IUPAC name of 2-chloroquinoline (CID 11928) is 2-chloroquinoline.
What is the SMILES notation for 2-chloroquinoline?
The canonical SMILES for 2-chloroquinoline is Clc1ccc2ccccc2n1.
What is the InChIKey of 2-chloroquinoline?
The InChIKey is OFUFXTHGZWIDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H.
What are the key properties of 2-chloroquinoline?
2-chloroquinoline 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 2-chloroquinoline is sourced from PubChem (CID 11928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).