4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde

C20H13BrN2O — CID 86631774

IUPAC4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2nc3ccc(Br)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C20H13BrN2O/c21-17-10-11-18-22-19(15-8-6-14(13-24)7-9-15)20(23(18)12-17)16-4-2-1-3-5-16/h1-13H
InChIKeyZNCNVBZSNQSECY-UHFFFAOYSA-N
MW377.24 g/mol
LogP5.24
Rot. Bonds3

About 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde

4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde (PubChem CID 86631774) has the molecular formula C20H13BrN2O and a molecular weight of 377.24 g/mol. Its IUPAC name is 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde
PubChem CID86631774
Molecular FormulaC20H13BrN2O
Molecular Weight377.24 g/mol
Exact Mass376.02
IUPAC Name4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde
SMILESO=Cc1ccc(-c2nc3ccc(Br)cn3c2-c2ccccc2)cc1
InChIInChI=1S/C20H13BrN2O/c21-17-10-11-18-22-19(15-8-6-14(13-24)7-9-15)20(23(18)12-17)16-4-2-1-3-5-16/h1-13H
InChIKeyZNCNVBZSNQSECY-UHFFFAOYSA-N
XLogP5.24
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.24
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The IUPAC name of 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde (CID 86631774) is 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde.
What is the SMILES notation for 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The canonical SMILES for 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde is O=Cc1ccc(-c2nc3ccc(Br)cn3c2-c2ccccc2)cc1.
What is the InChIKey of 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
The InChIKey is ZNCNVBZSNQSECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13BrN2O/c21-17-10-11-18-22-19(15-8-6-14(13-24)7-9-15)20(23(18)12-17)16-4-2-1-3-5-16/h1-13H.
What are the key properties of 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde?
4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde has a molecular weight of 377.24 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-phenylimidazo[1,2-a]pyridin-2-yl)benzaldehyde is sourced from PubChem (CID 86631774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).