2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine

C16H13F3N4O2 — CID 130309475

IUPAC2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine
SMILESCc1ccc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)nc1
InChIInChI=1S/C16H13F3N4O2/c1-10-2-5-15(20-7-10)24-9-11-8-23(22-21-11)12-3-4-13(17)14(6-12)25-16(18)19/h2-8,16H,9H2,1H3
InChIKeyYNNZXZMVRLYSIA-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.29
Rot. Bonds6

About 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine

2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine (PubChem CID 130309475) has the molecular formula C16H13F3N4O2 and a molecular weight of 350.30 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine
PubChem CID130309475
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine
SMILESCc1ccc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)nc1
InChIInChI=1S/C16H13F3N4O2/c1-10-2-5-15(20-7-10)24-9-11-8-23(22-21-11)12-3-4-13(17)14(6-12)25-16(18)19/h2-8,16H,9H2,1H3
InChIKeyYNNZXZMVRLYSIA-UHFFFAOYSA-N
XLogP3.29
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.30
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine (CID 130309475) is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine is Cc1ccc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)nc1.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine?
The InChIKey is YNNZXZMVRLYSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-10-2-5-15(20-7-10)24-9-11-8-23(22-21-11)12-3-4-13(17)14(6-12)25-16(18)19/h2-8,16H,9H2,1H3.
What are the key properties of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine?
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine has a molecular weight of 350.30 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-5-methylpyridine is sourced from PubChem (CID 130309475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).