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

C16H13BrF3N3O2 — CID 54673441

IUPAC6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCCOC(c1ccc(OC(F)(F)F)cc1)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C16H13BrF3N3O2/c1-2-24-13(9-3-5-11(6-4-9)25-16(18,19)20)15-22-12-7-10(17)8-21-14(12)23-15/h3-8,13H,2H2,1H3,(H,21,22,23)
InChIKeyUIPBOACGGXCURF-UHFFFAOYSA-N
MW416.20 g/mol
LogP4.74
Rot. Bonds5

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

6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 54673441) has the molecular formula C16H13BrF3N3O2 and a molecular weight of 416.20 g/mol. Its IUPAC name is 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID54673441
Molecular FormulaC16H13BrF3N3O2
Molecular Weight416.20 g/mol
Exact Mass415.01
IUPAC Name6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCCOC(c1ccc(OC(F)(F)F)cc1)c1nc2ncc(Br)cc2[nH]1
InChIInChI=1S/C16H13BrF3N3O2/c1-2-24-13(9-3-5-11(6-4-9)25-16(18,19)20)15-22-12-7-10(17)8-21-14(12)23-15/h3-8,13H,2H2,1H3,(H,21,22,23)
InChIKeyUIPBOACGGXCURF-UHFFFAOYSA-N
XLogP4.74
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.20
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine (CID 54673441) is 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine is CCOC(c1ccc(OC(F)(F)F)cc1)c1nc2ncc(Br)cc2[nH]1.
What is the InChIKey of 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is UIPBOACGGXCURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF3N3O2/c1-2-24-13(9-3-5-11(6-4-9)25-16(18,19)20)15-22-12-7-10(17)8-21-14(12)23-15/h3-8,13H,2H2,1H3,(H,21,22,23).
What are the key properties of 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 416.20 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 54673441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).