3-chloroisoquinolin-6-ol

C9H6ClNO — CID 135742198

IUPAC3-chloroisoquinolin-6-ol
SMILESOc1ccc2cnc(Cl)cc2c1
InChIInChI=1S/C9H6ClNO/c10-9-4-7-3-8(12)2-1-6(7)5-11-9/h1-5,12H
InChIKeyUGPQRQFIFJTENM-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.59
Rot. Bonds

About 3-chloroisoquinolin-6-ol

3-chloroisoquinolin-6-ol (PubChem CID 135742198) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 3-chloroisoquinolin-6-ol.

Molecular Properties

Compound Name3-chloroisoquinolin-6-ol
PubChem CID135742198
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name3-chloroisoquinolin-6-ol
SMILESOc1ccc2cnc(Cl)cc2c1
InChIInChI=1S/C9H6ClNO/c10-9-4-7-3-8(12)2-1-6(7)5-11-9/h1-5,12H
InChIKeyUGPQRQFIFJTENM-UHFFFAOYSA-N
XLogP2.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.61
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-chloroisoquinolin-6-ol?
The IUPAC name of 3-chloroisoquinolin-6-ol (CID 135742198) is 3-chloroisoquinolin-6-ol.
What is the SMILES notation for 3-chloroisoquinolin-6-ol?
The canonical SMILES for 3-chloroisoquinolin-6-ol is Oc1ccc2cnc(Cl)cc2c1.
What is the InChIKey of 3-chloroisoquinolin-6-ol?
The InChIKey is UGPQRQFIFJTENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-9-4-7-3-8(12)2-1-6(7)5-11-9/h1-5,12H.
What are the key properties of 3-chloroisoquinolin-6-ol?
3-chloroisoquinolin-6-ol has a molecular weight of 179.61 g/mol, XLogP of 2.59, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloroisoquinolin-6-ol is sourced from PubChem (CID 135742198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).