2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine

C16H12F4N4O — CID 130309719

IUPAC2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine
SMILESCc1cccc(OCc2cn(-c3ccc(F)c(C(F)(F)F)c3)nn2)n1
InChIInChI=1S/C16H12F4N4O/c1-10-3-2-4-15(21-10)25-9-11-8-24(23-22-11)12-5-6-14(17)13(7-12)16(18,19)20/h2-8H,9H2,1H3
InChIKeyYKOHWXYPXNBGFB-UHFFFAOYSA-N
MW352.29 g/mol
LogP3.71
Rot. Bonds4

About 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine

2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine (PubChem CID 130309719) has the molecular formula C16H12F4N4O and a molecular weight of 352.29 g/mol. Its IUPAC name is 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine
PubChem CID130309719
Molecular FormulaC16H12F4N4O
Molecular Weight352.29 g/mol
Exact Mass352.09
IUPAC Name2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine
SMILESCc1cccc(OCc2cn(-c3ccc(F)c(C(F)(F)F)c3)nn2)n1
InChIInChI=1S/C16H12F4N4O/c1-10-3-2-4-15(21-10)25-9-11-8-24(23-22-11)12-5-6-14(17)13(7-12)16(18,19)20/h2-8H,9H2,1H3
InChIKeyYKOHWXYPXNBGFB-UHFFFAOYSA-N
XLogP3.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.29
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine?
The IUPAC name of 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine (CID 130309719) is 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine.
What is the SMILES notation for 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine?
The canonical SMILES for 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine is Cc1cccc(OCc2cn(-c3ccc(F)c(C(F)(F)F)c3)nn2)n1.
What is the InChIKey of 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine?
The InChIKey is YKOHWXYPXNBGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F4N4O/c1-10-3-2-4-15(21-10)25-9-11-8-24(23-22-11)12-5-6-14(17)13(7-12)16(18,19)20/h2-8H,9H2,1H3.
What are the key properties of 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine?
2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine has a molecular weight of 352.29 g/mol, XLogP of 3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-6-methylpyridine is sourced from PubChem (CID 130309719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).