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

C21H12FN3O2 — CID 135032505

IUPAC6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn2cc(-c3ccccc3)nc12
InChIInChI=1S/C21H12FN3O2/c22-16-6-7-19(26)17(9-16)20(27)15-8-14(10-23)21-24-18(12-25(21)11-15)13-4-2-1-3-5-13/h1-9,11-12,26H
InChIKeyWPHNIBCPOQXUAJ-UHFFFAOYSA-N
MW357.34 g/mol
LogP3.95
Rot. Bonds3

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

6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile (PubChem CID 135032505) has the molecular formula C21H12FN3O2 and a molecular weight of 357.34 g/mol. Its IUPAC name is 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile.

Molecular Properties

Compound Name6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile
PubChem CID135032505
Molecular FormulaC21H12FN3O2
Molecular Weight357.34 g/mol
Exact Mass357.09
IUPAC Name6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile
SMILESN#Cc1cc(C(=O)c2cc(F)ccc2O)cn2cc(-c3ccccc3)nc12
InChIInChI=1S/C21H12FN3O2/c22-16-6-7-19(26)17(9-16)20(27)15-8-14(10-23)21-24-18(12-25(21)11-15)13-4-2-1-3-5-13/h1-9,11-12,26H
InChIKeyWPHNIBCPOQXUAJ-UHFFFAOYSA-N
XLogP3.95
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile?
The IUPAC name of 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile (CID 135032505) is 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile.
What is the SMILES notation for 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile?
The canonical SMILES for 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile is N#Cc1cc(C(=O)c2cc(F)ccc2O)cn2cc(-c3ccccc3)nc12.
What is the InChIKey of 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile?
The InChIKey is WPHNIBCPOQXUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12FN3O2/c22-16-6-7-19(26)17(9-16)20(27)15-8-14(10-23)21-24-18(12-25(21)11-15)13-4-2-1-3-5-13/h1-9,11-12,26H.
What are the key properties of 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile?
6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile has a molecular weight of 357.34 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-2-hydroxybenzoyl)-2-phenylimidazo[1,2-a]pyridine-8-carbonitrile is sourced from PubChem (CID 135032505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).