2-chloroquinolin-3-ol

C9H6ClNO — CID 14616631

IUPAC2-chloroquinolin-3-ol
SMILESOc1cc2ccccc2nc1Cl
InChIInChI=1S/C9H6ClNO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-5,12H
InChIKeyYXEMPRTUAQVUOI-UHFFFAOYSA-N
MW179.61 g/mol
LogP2.59
Rot. Bonds

About 2-chloroquinolin-3-ol

2-chloroquinolin-3-ol (PubChem CID 14616631) has the molecular formula C9H6ClNO and a molecular weight of 179.61 g/mol. Its IUPAC name is 2-chloroquinolin-3-ol.

Molecular Properties

Compound Name2-chloroquinolin-3-ol
PubChem CID14616631
Molecular FormulaC9H6ClNO
Molecular Weight179.61 g/mol
Exact Mass179.01
IUPAC Name2-chloroquinolin-3-ol
SMILESOc1cc2ccccc2nc1Cl
InChIInChI=1S/C9H6ClNO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-5,12H
InChIKeyYXEMPRTUAQVUOI-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 2-chloroquinolin-3-ol?
The IUPAC name of 2-chloroquinolin-3-ol (CID 14616631) is 2-chloroquinolin-3-ol.
What is the SMILES notation for 2-chloroquinolin-3-ol?
The canonical SMILES for 2-chloroquinolin-3-ol is Oc1cc2ccccc2nc1Cl.
What is the InChIKey of 2-chloroquinolin-3-ol?
The InChIKey is YXEMPRTUAQVUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO/c10-9-8(12)5-6-3-1-2-4-7(6)11-9/h1-5,12H.
What are the key properties of 2-chloroquinolin-3-ol?
2-chloroquinolin-3-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 2-chloroquinolin-3-ol is sourced from PubChem (CID 14616631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).