2-imidazol-1-yl-6-(trifluoromethyl)pyridine

C9H6F3N3 — CID 53217359

IUPAC2-imidazol-1-yl-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)7-2-1-3-8(14-7)15-5-4-13-6-15/h1-6H
InChIKeyJPUQWWQTPRLRLB-UHFFFAOYSA-N
MW213.16 g/mol
LogP2.29
Rot. Bonds1

About 2-imidazol-1-yl-6-(trifluoromethyl)pyridine

2-imidazol-1-yl-6-(trifluoromethyl)pyridine (PubChem CID 53217359) has the molecular formula C9H6F3N3 and a molecular weight of 213.16 g/mol. Its IUPAC name is 2-imidazol-1-yl-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-imidazol-1-yl-6-(trifluoromethyl)pyridine
PubChem CID53217359
Molecular FormulaC9H6F3N3
Molecular Weight213.16 g/mol
Exact Mass213.05
IUPAC Name2-imidazol-1-yl-6-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1cccc(-n2ccnc2)n1
InChIInChI=1S/C9H6F3N3/c10-9(11,12)7-2-1-3-8(14-7)15-5-4-13-6-15/h1-6H
InChIKeyJPUQWWQTPRLRLB-UHFFFAOYSA-N
XLogP2.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.16
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-imidazol-1-yl-6-(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-imidazol-1-yl-6-(trifluoromethyl)pyridine (CID 53217359) is 2-imidazol-1-yl-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-imidazol-1-yl-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-imidazol-1-yl-6-(trifluoromethyl)pyridine is FC(F)(F)c1cccc(-n2ccnc2)n1.
What is the InChIKey of 2-imidazol-1-yl-6-(trifluoromethyl)pyridine?
The InChIKey is JPUQWWQTPRLRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3/c10-9(11,12)7-2-1-3-8(14-7)15-5-4-13-6-15/h1-6H.
What are the key properties of 2-imidazol-1-yl-6-(trifluoromethyl)pyridine?
2-imidazol-1-yl-6-(trifluoromethyl)pyridine has a molecular weight of 213.16 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 53217359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).