8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one

C14H7BrFNO3 — CID 162359725

IUPAC8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)c(F)n2)oc2c(Br)cccc12
InChIInChI=1S/C14H7BrFNO3/c15-8-3-1-2-7-11(19)6-12(20-13(7)8)9-4-5-10(18)14(16)17-9/h1-6,18H
InChIKeyDSFDBGIBEZGVMD-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.46
Rot. Bonds1

About 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one

8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one (PubChem CID 162359725) has the molecular formula C14H7BrFNO3 and a molecular weight of 336.12 g/mol. Its IUPAC name is 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one.

Molecular Properties

Compound Name8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one
PubChem CID162359725
Molecular FormulaC14H7BrFNO3
Molecular Weight336.12 g/mol
Exact Mass334.96
IUPAC Name8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one
SMILESO=c1cc(-c2ccc(O)c(F)n2)oc2c(Br)cccc12
InChIInChI=1S/C14H7BrFNO3/c15-8-3-1-2-7-11(19)6-12(20-13(7)8)9-4-5-10(18)14(16)17-9/h1-6,18H
InChIKeyDSFDBGIBEZGVMD-UHFFFAOYSA-N
XLogP3.46
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one 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 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
The IUPAC name of 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one (CID 162359725) is 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one.
What is the SMILES notation for 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
The canonical SMILES for 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one is O=c1cc(-c2ccc(O)c(F)n2)oc2c(Br)cccc12.
What is the InChIKey of 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
The InChIKey is DSFDBGIBEZGVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7BrFNO3/c15-8-3-1-2-7-11(19)6-12(20-13(7)8)9-4-5-10(18)14(16)17-9/h1-6,18H.
What are the key properties of 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one?
8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one has a molecular weight of 336.12 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-(6-fluoro-5-hydroxy-2-pyridinyl)chromen-4-one is sourced from PubChem (CID 162359725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).