3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine

C12H12F3N3O — CID 140633528

IUPAC3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine
SMILESCC(C)Oc1cn(-c2cccnc2C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3O/c1-8(2)19-10-6-18(7-17-10)9-4-3-5-16-11(9)12(13,14)15/h3-8H,1-2H3
InChIKeyGNJDXRTYCOOKPX-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.07
Rot. Bonds3

About 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine

3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine (PubChem CID 140633528) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine
PubChem CID140633528
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine
SMILESCC(C)Oc1cn(-c2cccnc2C(F)(F)F)cn1
InChIInChI=1S/C12H12F3N3O/c1-8(2)19-10-6-18(7-17-10)9-4-3-5-16-11(9)12(13,14)15/h3-8H,1-2H3
InChIKeyGNJDXRTYCOOKPX-UHFFFAOYSA-N
XLogP3.07
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3S)-3-fluoropyrrolidin-1-yl]-5-methoxy-2-pyridin-2-ylpyrimidine
CID 70690929
4-(3,3-Difluoropyrrolidin-1-yl)-5-methoxy-2-pyridin-2-ylpyrimidine
CID 70688841
2-Methoxy-6-[4-[(1-methylpyrrol-2-yl)methyl]piperazin-1-yl]pyrazine
CID 84593500
3-Methoxy-2-trifluoromethylimidazo[1,2-a]pyridine
CID 129880054
2-[[2-[(1S)-1-ethoxyethyl]imidazol-1-yl]methyl]-3-methylpyridine
CID 97881586
2-(4-Fluorophenyl)-8-isopropoxyimidazo[1,2-a]pyrazine
CID 57438775
2-(Difluoromethoxy)imidazo[1,2-a]pyridine
CID 67698737
4-(1,1-Difluoroethoxymethyl)-1-phenylimidazole
CID 68641635
2-[[1-(2-Fluorophenyl)imidazol-4-yl]oxymethyl]pyridine
CID 70088118
3-(Trifluoromethoxy)imidazo[1,2-a]pyridine
CID 70223535
4-(1,1-Difluoropropoxymethyl)-1-phenylimidazole
CID 70803161
2-Ethyl-3-(trifluoromethoxy)imidazo[1,2-a]pyridine
CID 70835377

Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine (CID 140633528) is 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine is CC(C)Oc1cn(-c2cccnc2C(F)(F)F)cn1.
What is the InChIKey of 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is GNJDXRTYCOOKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c1-8(2)19-10-6-18(7-17-10)9-4-3-5-16-11(9)12(13,14)15/h3-8H,1-2H3.
What are the key properties of 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine?
3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 271.24 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-yloxyimidazol-1-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 140633528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).