5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine

C12H12F3N3 — CID 68761140

IUPAC5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine
SMILESCCc1cnc(C(F)(F)F)cc1-c1nccn1C
InChIInChI=1S/C12H12F3N3/c1-3-8-7-17-10(12(13,14)15)6-9(8)11-16-4-5-18(11)2/h4-7H,3H2,1-2H3
InChIKeyBTIQDORUPUJAFH-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.06
Rot. Bonds2

About 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine

5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine (PubChem CID 68761140) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine
PubChem CID68761140
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine
SMILESCCc1cnc(C(F)(F)F)cc1-c1nccn1C
InChIInChI=1S/C12H12F3N3/c1-3-8-7-17-10(12(13,14)15)6-9(8)11-16-4-5-18(11)2/h4-7H,3H2,1-2H3
InChIKeyBTIQDORUPUJAFH-UHFFFAOYSA-N
XLogP3.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine?
The IUPAC name of 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine (CID 68761140) is 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine.
What is the SMILES notation for 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine?
The canonical SMILES for 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine is CCc1cnc(C(F)(F)F)cc1-c1nccn1C.
What is the InChIKey of 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine?
The InChIKey is BTIQDORUPUJAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-3-8-7-17-10(12(13,14)15)6-9(8)11-16-4-5-18(11)2/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine?
5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine has a molecular weight of 255.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(1-methylimidazol-2-yl)-2-(trifluoromethyl)pyridine is sourced from PubChem (CID 68761140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).