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

C14H9F3N4 — CID 122389020

IUPAC2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2cn(-c3ccccn3)nn2)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)11-6-4-10(5-7-11)12-9-21(20-19-12)13-3-1-2-8-18-13/h1-9H
InChIKeyBBUJYZCEPQOJAB-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.35
Rot. Bonds2

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

2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine (PubChem CID 122389020) has the molecular formula C14H9F3N4 and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine
PubChem CID122389020
Molecular FormulaC14H9F3N4
Molecular Weight290.25 g/mol
Exact Mass290.08
IUPAC Name2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine
SMILESFC(F)(F)c1ccc(-c2cn(-c3ccccn3)nn2)cc1
InChIInChI=1S/C14H9F3N4/c15-14(16,17)11-6-4-10(5-7-11)12-9-21(20-19-12)13-3-1-2-8-18-13/h1-9H
InChIKeyBBUJYZCEPQOJAB-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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Related Compounds

diphenyl-[[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]methyl]phosphane
CID 102256886
2-[4-(1-butan-2-ylpyrazol-4-yl)triazol-1-yl]pyridine
CID 166341685
2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 15486309
1-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]triazole
CID 53483046
methyl 3-phenyl-5-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]benzoate
CID 175948854
3-phenyl-5-[1-[4-(trifluoromethyl)phenyl]triazol-4-yl]benzoic acid
CID 175917729
1-pyridin-2-yl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazine
CID 763101
2,6-dipyridin-2-yl-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58672250
N-(1-pyridin-2-ylpyrazol-4-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 166211989
4-[4-(4-phenyltriazol-1-yl)phenyl]-2,6-dipyridin-2-ylpyridine
CID 162662895
1-phenyl-4-(4-phenylphenyl)triazole
CID 140714352
2-[5-[4-(trifluoromethyl)phenyl]-3H-pyrazol-3-yl]pyridine
CID 58731948

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine?
The IUPAC name of 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine (CID 122389020) is 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine.
What is the SMILES notation for 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine?
The canonical SMILES for 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine is FC(F)(F)c1ccc(-c2cn(-c3ccccn3)nn2)cc1.
What is the InChIKey of 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine?
The InChIKey is BBUJYZCEPQOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N4/c15-14(16,17)11-6-4-10(5-7-11)12-9-21(20-19-12)13-3-1-2-8-18-13/h1-9H.
What are the key properties of 2-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine?
2-[4-[4-(trifluoromethyl)phenyl]triazol-1-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-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]pyridine is sourced from PubChem (CID 122389020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).