2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile

C19H10Br2N4O — CID 3520759

About 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile

2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile (PubChem CID 3520759) has the molecular formula C19H10Br2N4O and a molecular weight of 470.12 g/mol. Its IUPAC name is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile.

Molecular Properties

• Compound Name: 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile
• PubChem CID: 3520759
• Molecular Formula: C19H10Br2N4O
• Molecular Weight: 470.12 g/mol
• Exact Mass: 467.92
• IUPAC Name: 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile
• SMILES: N#CC(=Cc1ccc(-c2ccccc2Br)o1)c1nc2ncc(Br)cc2[nH]1
• InChI: InChI=1S/C19H10Br2N4O/c20-12-8-16-19(23-10-12)25-18(24-16)11(9-22)7-13-5-6-17(26-13)14-3-1-2-4-15(14)21/h1-8,10H,(H,23,24,25)
• InChIKey: VBDFDLBFABPOGI-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 78.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.12
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile?

The IUPAC name of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile (CID 3520759) is 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile.

What is the SMILES notation for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile?

The canonical SMILES for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile is N#CC(=Cc1ccc(-c2ccccc2Br)o1)c1nc2ncc(Br)cc2[nH]1.

What is the InChIKey of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile?

The InChIKey is VBDFDLBFABPOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Br2N4O/c20-12-8-16-19(23-10-12)25-18(24-16)11(9-22)7-13-5-6-17(26-13)14-3-1-2-4-15(14)21/h1-8,10H,(H,23,24,25).

What are the key properties of 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile?

2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile has a molecular weight of 470.12 g/mol, XLogP of 5.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)-3-[5-(2-bromophenyl)furan-2-yl]prop-2-enenitrile is sourced from PubChem (CID 3520759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).