6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

C8H5BrF3N3 — CID 5378086

IUPAC6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nc(C(F)(F)F)[nH]c2cc1Br
InChIInChI=1S/C8H5BrF3N3/c1-3-4(9)2-5-6(13-3)15-7(14-5)8(10,11)12/h2H,1H3,(H,13,14,15)
InChIKeyOXCAICUVOIZMQW-UHFFFAOYSA-N
MW280.05 g/mol
LogP3.05
Rot. Bonds

About 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine

6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (PubChem CID 5378086) has the molecular formula C8H5BrF3N3 and a molecular weight of 280.05 g/mol. Its IUPAC name is 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
PubChem CID5378086
Molecular FormulaC8H5BrF3N3
Molecular Weight280.05 g/mol
Exact Mass278.96
IUPAC Name6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine
SMILESCc1nc2nc(C(F)(F)F)[nH]c2cc1Br
InChIInChI=1S/C8H5BrF3N3/c1-3-4(9)2-5-6(13-3)15-7(14-5)8(10,11)12/h2H,1H3,(H,13,14,15)
InChIKeyOXCAICUVOIZMQW-UHFFFAOYSA-N
XLogP3.05
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-bromo-5-methyl-2-(trifluoromethyl)-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 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine (CID 5378086) is 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is Cc1nc2nc(C(F)(F)F)[nH]c2cc1Br.
What is the InChIKey of 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
The InChIKey is OXCAICUVOIZMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3/c1-3-4(9)2-5-6(13-3)15-7(14-5)8(10,11)12/h2H,1H3,(H,13,14,15).
What are the key properties of 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine?
6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 280.05 g/mol, XLogP of 3.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-methyl-2-(trifluoromethyl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 5378086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).