6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine

C12H8BrN3 — CID 4789370

IUPAC6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C12H8BrN3/c13-9-6-10-12(14-7-9)16-11(15-10)8-4-2-1-3-5-8/h1-7H,(H,14,15,16)
InChIKeyUQEYLXNLWAHTFF-UHFFFAOYSA-N
MW274.12 g/mol
LogP3.39
Rot. Bonds1

About 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine

6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine (PubChem CID 4789370) has the molecular formula C12H8BrN3 and a molecular weight of 274.12 g/mol. Its IUPAC name is 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine
PubChem CID4789370
Molecular FormulaC12H8BrN3
Molecular Weight274.12 g/mol
Exact Mass272.99
IUPAC Name6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C12H8BrN3/c13-9-6-10-12(14-7-9)16-11(15-10)8-4-2-1-3-5-8/h1-7H,(H,14,15,16)
InChIKeyUQEYLXNLWAHTFF-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.12
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine (CID 4789370) is 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is UQEYLXNLWAHTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN3/c13-9-6-10-12(14-7-9)16-11(15-10)8-4-2-1-3-5-8/h1-7H,(H,14,15,16).
What are the key properties of 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine?
6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 274.12 g/mol, XLogP of 3.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-phenyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 4789370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).