2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine

C14H9F3N4 — CID 122389019

IUPAC2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine
SMILESFC(F)(F)c1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)10-4-6-11(7-5-10)21-9-13(19-20-21)12-3-1-2-8-18-12/h1-9H
InChIKeyHXYSABYPOFEHMO-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds2

About 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine

2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine (PubChem CID 122389019) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine
PubChem CID122389019
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine
SMILESFC(F)(F)c1ccc(-n2cc(-c3ccccn3)nn2)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)10-4-6-11(7-5-10)21-9-13(19-20-21)12-3-1-2-8-18-12/h1-9H
InChIKeyHXYSABYPOFEHMO-UHFFFAOYSA-N
XLogP3.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
The IUPAC name of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine (CID 122389019) is 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine.
What is the SMILES notation for 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
The canonical SMILES for 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine is FC(F)(F)c1ccc(-n2cc(-c3ccccn3)nn2)cc1.
What is the InChIKey of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
The InChIKey is HXYSABYPOFEHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)10-4-6-11(7-5-10)21-9-13(19-20-21)12-3-1-2-8-18-12/h1-9H.
What are the key properties of 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine has a molecular weight of 290.25 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]pyridine is sourced from PubChem (CID 122389019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).