3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine

C9H10F3N3 — CID 162548587

IUPAC3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine
SMILESCC1CC=c2nc(C(F)(F)F)n(C)c2=N1
InChIInChI=1S/C9H10F3N3/c1-5-3-4-6-7(13-5)15(2)8(14-6)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyHYIAUWIICQDYSD-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.63
Rot. Bonds

About 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine

3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine (PubChem CID 162548587) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine
PubChem CID162548587
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine
SMILESCC1CC=c2nc(C(F)(F)F)n(C)c2=N1
InChIInChI=1S/C9H10F3N3/c1-5-3-4-6-7(13-5)15(2)8(14-6)9(10,11)12/h4-5H,3H2,1-2H3
InChIKeyHYIAUWIICQDYSD-UHFFFAOYSA-N
XLogP0.63
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine?
The IUPAC name of 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine (CID 162548587) is 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine.
What is the SMILES notation for 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine?
The canonical SMILES for 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine is CC1CC=c2nc(C(F)(F)F)n(C)c2=N1.
What is the InChIKey of 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine?
The InChIKey is HYIAUWIICQDYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c1-5-3-4-6-7(13-5)15(2)8(14-6)9(10,11)12/h4-5H,3H2,1-2H3.
What are the key properties of 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine?
3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine has a molecular weight of 217.19 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-(trifluoromethyl)-5,6-dihydroimidazo[4,5-b]pyridine is sourced from PubChem (CID 162548587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).