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

C15H11F3N4O2 — CID 130309370

IUPAC2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccccn3)nn2)cc1OC(F)F
InChIInChI=1S/C15H11F3N4O2/c16-12-5-4-11(7-13(12)24-15(17)18)22-8-10(20-21-22)9-23-14-3-1-2-6-19-14/h1-8,15H,9H2
InChIKeyNQSXVBDOPFNNGZ-UHFFFAOYSA-N
MW336.27 g/mol
LogP2.98
Rot. Bonds6

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

2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine (PubChem CID 130309370) has the molecular formula C15H11F3N4O2 and a molecular weight of 336.27 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
PubChem CID130309370
Molecular FormulaC15H11F3N4O2
Molecular Weight336.27 g/mol
Exact Mass336.08
IUPAC Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine
SMILESFc1ccc(-n2cc(COc3ccccn3)nn2)cc1OC(F)F
InChIInChI=1S/C15H11F3N4O2/c16-12-5-4-11(7-13(12)24-15(17)18)22-8-10(20-21-22)9-23-14-3-1-2-6-19-14/h1-8,15H,9H2
InChIKeyNQSXVBDOPFNNGZ-UHFFFAOYSA-N
XLogP2.98
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 52.98
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]pyridine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine (CID 130309370) is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine is Fc1ccc(-n2cc(COc3ccccn3)nn2)cc1OC(F)F.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
The InChIKey is NQSXVBDOPFNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N4O2/c16-12-5-4-11(7-13(12)24-15(17)18)22-8-10(20-21-22)9-23-14-3-1-2-6-19-14/h1-8,15H,9H2.
What are the key properties of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine?
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]pyridine has a molecular weight of 336.27 g/mol, XLogP of 2.98, 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]pyridine is sourced from PubChem (CID 130309370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).