2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile

C21H11BrFN3O2 — CID 135032510

IUPAC2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C21H11BrFN3O2/c22-15-3-1-12(2-4-15)18-11-26-10-14(7-13(9-24)21(26)25-18)20(28)17-8-16(23)5-6-19(17)27/h1-8,10-11,27H
InChIKeyWHOSSNGXGLHTHN-UHFFFAOYSA-N
MW436.24 g/mol
LogP4.71
Rot. Bonds3

About 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile

2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 135032510) has the molecular formula C21H11BrFN3O2 and a molecular weight of 436.24 g/mol. Its IUPAC name is 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID135032510
Molecular FormulaC21H11BrFN3O2
Molecular Weight436.24 g/mol
Exact Mass435.00
IUPAC Name2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn2cc(-c3ccc(Br)cc3)nc12
InChIInChI=1S/C21H11BrFN3O2/c22-15-3-1-12(2-4-15)18-11-26-10-14(7-13(9-24)21(26)25-18)20(28)17-8-16(23)5-6-19(17)27/h1-8,10-11,27H
InChIKeyWHOSSNGXGLHTHN-UHFFFAOYSA-N
XLogP4.71
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.24
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile 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-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile (CID 135032510) is 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1cc(C(=O)c2cc(F)ccc2O)cn2cc(-c3ccc(Br)cc3)nc12.
What is the InChIKey of 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is WHOSSNGXGLHTHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11BrFN3O2/c22-15-3-1-12(2-4-15)18-11-26-10-14(7-13(9-24)21(26)25-18)20(28)17-8-16(23)5-6-19(17)27/h1-8,10-11,27H.
What are the key properties of 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile?
2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 436.24 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-6-(5-fluoro-2-hydroxybenzoyl)imidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 135032510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).