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

C8H5BrF3N3 — CID 657887

IUPAC6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1cc(Br)cc2nc(C(F)(F)F)nc1-2
InChIInChI=1S/C8H5BrF3N3/c1-15-3-4(9)2-5-6(15)14-7(13-5)8(10,11)12/h2-3H,1H3
InChIKeyDFTNEEBSWMWZHA-UHFFFAOYSA-N
MW280.05 g/mol
LogP2.70
Rot. Bonds

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

6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (PubChem CID 657887) has the molecular formula C8H5BrF3N3 and a molecular weight of 280.05 g/mol. Its IUPAC name is 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
PubChem CID657887
Molecular FormulaC8H5BrF3N3
Molecular Weight280.05 g/mol
Exact Mass278.96
IUPAC Name6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine
SMILESCn1cc(Br)cc2nc(C(F)(F)F)nc1-2
InChIInChI=1S/C8H5BrF3N3/c1-15-3-4(9)2-5-6(15)14-7(13-5)8(10,11)12/h2-3H,1H3
InChIKeyDFTNEEBSWMWZHA-UHFFFAOYSA-N
XLogP2.70
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.05
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine (CID 657887) is 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is Cn1cc(Br)cc2nc(C(F)(F)F)nc1-2.
What is the InChIKey of 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
The InChIKey is DFTNEEBSWMWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF3N3/c1-15-3-4(9)2-5-6(15)14-7(13-5)8(10,11)12/h2-3H,1H3.
What are the key properties of 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine?
6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine has a molecular weight of 280.05 g/mol, XLogP of 2.70, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methyl-2-(trifluoromethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 657887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).