2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide

C42H28BrCl2FN8O2 — CID 174577479

About 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide

2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 174577479) has the molecular formula C42H28BrCl2FN8O2 and a molecular weight of 846.55 g/mol. Its IUPAC name is 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

• Compound Name: 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
• PubChem CID: 174577479
• Molecular Formula: C42H28BrCl2FN8O2
• Molecular Weight: 846.55 g/mol
• Exact Mass: 844.09
• IUPAC Name: 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide
• SMILES: O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1ccnc(Br)c1.O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1ccncc1F
• InChI: InChI=1S/C21H14BrClN4O.C21H14ClFN4O/c22-19-10-14(8-9-24-19)21(28)26-15-6-7-17(23)16(11-15)20-25-12-18(27-20)13-4-2-1-3-5-13;22-17-7-6-14(26-21(28)15-8-9-24-11-18(15)23)10-16(17)20-25-12-19(27-20)13-4-2-1-3-5-13/h2*1-12H,(H,25,27)(H,26,28)
• InChIKey: MFMSHMXFVQEVEL-UHFFFAOYSA-N
• XLogP: 10.99
• TPSA: 141.34 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	846.55
LogP ≤ 5	10.99
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?

The IUPAC name of 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide (CID 174577479) is 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide.

What is the SMILES notation for 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?

The canonical SMILES for 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1ccnc(Br)c1.O=C(Nc1ccc(Cl)c(-c2ncc(-c3ccccc3)[nH]2)c1)c1ccncc1F.

What is the InChIKey of 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?

The InChIKey is MFMSHMXFVQEVEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14BrClN4O.C21H14ClFN4O/c22-19-10-14(8-9-24-19)21(28)26-15-6-7-17(23)16(11-15)20-25-12-18(27-20)13-4-2-1-3-5-13;22-17-7-6-14(26-21(28)15-8-9-24-11-18(15)23)10-16(17)20-25-12-19(27-20)13-4-2-1-3-5-13/h2*1-12H,(H,25,27)(H,26,28).

What are the key properties of 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide?

2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 846.55 g/mol, XLogP of 10.99, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]pyridine-4-carboxamide;N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 174577479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).