6-bromoquinolin-3-ol

C9H6BrNO — CID 17039651

IUPAC6-bromoquinolin-3-ol
SMILESOc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C9H6BrNO/c10-7-1-2-9-6(3-7)4-8(12)5-11-9/h1-5,12H
InChIKeyCURYXBCGKGDWCN-UHFFFAOYSA-N
MW224.06 g/mol
LogP2.70
Rot. Bonds

About 6-bromoquinolin-3-ol

6-bromoquinolin-3-ol (PubChem CID 17039651) has the molecular formula C9H6BrNO and a molecular weight of 224.06 g/mol. Its IUPAC name is 6-bromoquinolin-3-ol.

Molecular Properties

Compound Name6-bromoquinolin-3-ol
PubChem CID17039651
Molecular FormulaC9H6BrNO
Molecular Weight224.06 g/mol
Exact Mass222.96
IUPAC Name6-bromoquinolin-3-ol
SMILESOc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C9H6BrNO/c10-7-1-2-9-6(3-7)4-8(12)5-11-9/h1-5,12H
InChIKeyCURYXBCGKGDWCN-UHFFFAOYSA-N
XLogP2.70
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.06
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromoquinolin-3-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 6-bromoquinolin-3-ol?
The IUPAC name of 6-bromoquinolin-3-ol (CID 17039651) is 6-bromoquinolin-3-ol.
What is the SMILES notation for 6-bromoquinolin-3-ol?
The canonical SMILES for 6-bromoquinolin-3-ol is Oc1cnc2ccc(Br)cc2c1.
What is the InChIKey of 6-bromoquinolin-3-ol?
The InChIKey is CURYXBCGKGDWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrNO/c10-7-1-2-9-6(3-7)4-8(12)5-11-9/h1-5,12H.
What are the key properties of 6-bromoquinolin-3-ol?
6-bromoquinolin-3-ol has a molecular weight of 224.06 g/mol, XLogP of 2.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromoquinolin-3-ol is sourced from PubChem (CID 17039651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).