7-bromo-1H-imidazo[4,5-b]pyridine

C6H4BrN3 — CID 53423966

IUPAC7-bromo-1H-imidazo[4,5-b]pyridine
SMILESBrc1ccnc2nc[nH]c12
InChIInChI=1S/C6H4BrN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10)
InChIKeyDEFSPWZHYXXHLB-UHFFFAOYSA-N
MW198.02 g/mol
LogP1.72
Rot. Bonds

About 7-bromo-1H-imidazo[4,5-b]pyridine

7-bromo-1H-imidazo[4,5-b]pyridine (PubChem CID 53423966) has the molecular formula C6H4BrN3 and a molecular weight of 198.02 g/mol. Its IUPAC name is 7-bromo-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name7-bromo-1H-imidazo[4,5-b]pyridine
PubChem CID53423966
Molecular FormulaC6H4BrN3
Molecular Weight198.02 g/mol
Exact Mass196.96
IUPAC Name7-bromo-1H-imidazo[4,5-b]pyridine
SMILESBrc1ccnc2nc[nH]c12
InChIInChI=1S/C6H4BrN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10)
InChIKeyDEFSPWZHYXXHLB-UHFFFAOYSA-N
XLogP1.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.02
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-bromo-1H-imidazo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 7-bromo-1H-imidazo[4,5-b]pyridine (CID 53423966) is 7-bromo-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 7-bromo-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 7-bromo-1H-imidazo[4,5-b]pyridine is Brc1ccnc2nc[nH]c12.
What is the InChIKey of 7-bromo-1H-imidazo[4,5-b]pyridine?
The InChIKey is DEFSPWZHYXXHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10).
What are the key properties of 7-bromo-1H-imidazo[4,5-b]pyridine?
7-bromo-1H-imidazo[4,5-b]pyridine has a molecular weight of 198.02 g/mol, XLogP of 1.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 53423966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).