2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine

C15H11F3N4O — CID 18921381

IUPAC2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCn1ncnc1-c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F3N4O/c1-22-14(19-9-20-22)12-6-3-7-13(21-12)23-11-5-2-4-10(8-11)15(16,17)18/h2-9H,1H3
InChIKeyDRBJUEUHVLOBTH-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.69
Rot. Bonds3

About 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine

2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 18921381) has the molecular formula C15H11F3N4O and a molecular weight of 320.27 g/mol. Its IUPAC name is 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID18921381
Molecular FormulaC15H11F3N4O
Molecular Weight320.27 g/mol
Exact Mass320.09
IUPAC Name2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCn1ncnc1-c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C15H11F3N4O/c1-22-14(19-9-20-22)12-6-3-7-13(21-12)23-11-5-2-4-10(8-11)15(16,17)18/h2-9H,1H3
InChIKeyDRBJUEUHVLOBTH-UHFFFAOYSA-N
XLogP3.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine (CID 18921381) is 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine is Cn1ncnc1-c1cccc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is DRBJUEUHVLOBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O/c1-22-14(19-9-20-22)12-6-3-7-13(21-12)23-11-5-2-4-10(8-11)15(16,17)18/h2-9H,1H3.
What are the key properties of 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine?
2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 320.27 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,2,4-triazol-3-yl)-6-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 18921381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).