3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine

C15H12F3N3O — CID 167807575

IUPAC3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(OCC(F)(F)F)cc2)nc2ccncc21
InChIInChI=1S/C15H12F3N3O/c1-21-13-8-19-7-6-12(13)20-14(21)10-2-4-11(5-3-10)22-9-15(16,17)18/h2-8H,9H2,1H3
InChIKeyYGSXWHRUJCGKKV-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.58
Rot. Bonds3

About 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine

3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine (PubChem CID 167807575) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine
PubChem CID167807575
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine
SMILESCn1c(-c2ccc(OCC(F)(F)F)cc2)nc2ccncc21
InChIInChI=1S/C15H12F3N3O/c1-21-13-8-19-7-6-12(13)20-14(21)10-2-4-11(5-3-10)22-9-15(16,17)18/h2-8H,9H2,1H3
InChIKeyYGSXWHRUJCGKKV-UHFFFAOYSA-N
XLogP3.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-2-(4-prop-2-ynoxyphenyl)imidazo[4,5-c]pyridine
CID 167800184
2-(6-chloro-5-methyl-3-pyridinyl)-3-methylimidazo[4,5-c]pyridine
CID 167895828
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
2-(2-fluorophenyl)-3-methylimidazo[4,5-c]pyridine
CID 70925257
2-[3-(3-methylimidazo[4,5-c]pyridin-2-yl)phenyl]ethanamine
CID 114793319
2-(6-methoxy-1-benzofuran-2-yl)-3-methylimidazo[4,5-c]pyridine
CID 167831156
2-methyl-6-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine
CID 142266365
3-methyl-2-[2,3,4,5,6-pentakis(3-methylimidazo[4,5-b]pyridin-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 59194302
3-fluoro-2-(3-methylimidazo[4,5-c]pyridin-2-yl)phenol
CID 136959759
2-(3,4-dihydro-1H-isochromen-7-yl)-3-methylimidazo[4,5-c]pyridine
CID 167893785
6-(3-methylimidazo[4,5-c]pyridin-2-yl)-1,2,3,4-tetrahydroquinoline
CID 114793362
2-[4-[3-(tert-butylamino)-2-hydroxypropoxy]phenyl]-3-methylpyrido[4,3-d]pyrimidin-4-one;dihydrochloride
CID 20504701

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine (CID 167807575) is 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine is Cn1c(-c2ccc(OCC(F)(F)F)cc2)nc2ccncc21.
What is the InChIKey of 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine?
The InChIKey is YGSXWHRUJCGKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-21-13-8-19-7-6-12(13)20-14(21)10-2-4-11(5-3-10)22-9-15(16,17)18/h2-8H,9H2,1H3.
What are the key properties of 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine?
3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine has a molecular weight of 307.28 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(2,2,2-trifluoroethoxy)phenyl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 167807575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).