3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol

C17H10BrNO2 — CID 6538871

IUPAC3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESOc1ccc2oc3ncc(Br)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H10BrNO2/c18-13-9-19-17-16(15(13)10-4-2-1-3-5-10)12-8-11(20)6-7-14(12)21-17/h1-9,20H
InChIKeyALIOQXGVNHUSRG-UHFFFAOYSA-N
MW340.18 g/mol
LogP5.12
Rot. Bonds1

About 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol

3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol (PubChem CID 6538871) has the molecular formula C17H10BrNO2 and a molecular weight of 340.18 g/mol. Its IUPAC name is 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol.

Molecular Properties

Compound Name3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol
PubChem CID6538871
Molecular FormulaC17H10BrNO2
Molecular Weight340.18 g/mol
Exact Mass338.99
IUPAC Name3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol
SMILESOc1ccc2oc3ncc(Br)c(-c4ccccc4)c3c2c1
InChIInChI=1S/C17H10BrNO2/c18-13-9-19-17-16(15(13)10-4-2-1-3-5-10)12-8-11(20)6-7-14(12)21-17/h1-9,20H
InChIKeyALIOQXGVNHUSRG-UHFFFAOYSA-N
XLogP5.12
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.18
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-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 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol?
The IUPAC name of 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol (CID 6538871) is 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol.
What is the SMILES notation for 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol?
The canonical SMILES for 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol is Oc1ccc2oc3ncc(Br)c(-c4ccccc4)c3c2c1.
What is the InChIKey of 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol?
The InChIKey is ALIOQXGVNHUSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrNO2/c18-13-9-19-17-16(15(13)10-4-2-1-3-5-10)12-8-11(20)6-7-14(12)21-17/h1-9,20H.
What are the key properties of 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol?
3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol has a molecular weight of 340.18 g/mol, XLogP of 5.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-phenyl-[1]benzofuro[2,3-b]pyridin-6-ol is sourced from PubChem (CID 6538871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).