2-chloro-5-fluoroquinolin-6-ol

C9H5ClFNO — CID 86698075

IUPAC2-chloro-5-fluoroquinolin-6-ol
SMILESOc1ccc2nc(Cl)ccc2c1F
InChIInChI=1S/C9H5ClFNO/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1-4,13H
InChIKeySZLZFBCCSMJXJN-UHFFFAOYSA-N
MW197.60 g/mol
LogP2.73
Rot. Bonds

About 2-chloro-5-fluoroquinolin-6-ol

2-chloro-5-fluoroquinolin-6-ol (PubChem CID 86698075) has the molecular formula C9H5ClFNO and a molecular weight of 197.60 g/mol. Its IUPAC name is 2-chloro-5-fluoroquinolin-6-ol.

Molecular Properties

Compound Name2-chloro-5-fluoroquinolin-6-ol
PubChem CID86698075
Molecular FormulaC9H5ClFNO
Molecular Weight197.60 g/mol
Exact Mass197.00
IUPAC Name2-chloro-5-fluoroquinolin-6-ol
SMILESOc1ccc2nc(Cl)ccc2c1F
InChIInChI=1S/C9H5ClFNO/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1-4,13H
InChIKeySZLZFBCCSMJXJN-UHFFFAOYSA-N
XLogP2.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.60
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-5-fluoroquinolin-6-ol 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 2-chloro-5-fluoroquinolin-6-ol?
The IUPAC name of 2-chloro-5-fluoroquinolin-6-ol (CID 86698075) is 2-chloro-5-fluoroquinolin-6-ol.
What is the SMILES notation for 2-chloro-5-fluoroquinolin-6-ol?
The canonical SMILES for 2-chloro-5-fluoroquinolin-6-ol is Oc1ccc2nc(Cl)ccc2c1F.
What is the InChIKey of 2-chloro-5-fluoroquinolin-6-ol?
The InChIKey is SZLZFBCCSMJXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClFNO/c10-8-4-1-5-6(12-8)2-3-7(13)9(5)11/h1-4,13H.
What are the key properties of 2-chloro-5-fluoroquinolin-6-ol?
2-chloro-5-fluoroquinolin-6-ol has a molecular weight of 197.60 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoroquinolin-6-ol is sourced from PubChem (CID 86698075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).