3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine

C14H9F3N4 — CID 150339157

IUPAC3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine
SMILESFC(F)(F)c1cccc(-n2cc(-c3cccnc3)nn2)c1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)11-4-1-5-12(7-11)21-9-13(19-20-21)10-3-2-6-18-8-10/h1-9H
InChIKeyGRIDFKYFMUZLBG-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds2

About 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine

3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine (PubChem CID 150339157) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine
PubChem CID150339157
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine
SMILESFC(F)(F)c1cccc(-n2cc(-c3cccnc3)nn2)c1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)11-4-1-5-12(7-11)21-9-13(19-20-21)10-3-2-6-18-8-10/h1-9H
InChIKeyGRIDFKYFMUZLBG-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 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
The IUPAC name of 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine (CID 150339157) is 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
The canonical SMILES for 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine is FC(F)(F)c1cccc(-n2cc(-c3cccnc3)nn2)c1.
What is the InChIKey of 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
The InChIKey is GRIDFKYFMUZLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)11-4-1-5-12(7-11)21-9-13(19-20-21)10-3-2-6-18-8-10/h1-9H.
What are the key properties of 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine?
3-[1-[3-(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 3-[1-[3-(trifluoromethyl)phenyl]triazol-4-yl]pyridine is sourced from PubChem (CID 150339157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).