3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine

C17H15F3N4O2 — CID 130309831

IUPAC3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine
SMILESCOc1ncccc1OCc1cn(-c2ccc(F)c(C(C)(F)F)c2)nn1
InChIInChI=1S/C17H15F3N4O2/c1-17(19,20)13-8-12(5-6-14(13)18)24-9-11(22-23-24)10-26-15-4-3-7-21-16(15)25-2/h3-9H,10H2,1-2H3
InChIKeyGZJYBVRYMVLQSP-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.50
Rot. Bonds6

About 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine

3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine (PubChem CID 130309831) has the molecular formula C17H15F3N4O2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine.

Molecular Properties

Compound Name3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine
PubChem CID130309831
Molecular FormulaC17H15F3N4O2
Molecular Weight364.33 g/mol
Exact Mass364.11
IUPAC Name3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine
SMILESCOc1ncccc1OCc1cn(-c2ccc(F)c(C(C)(F)F)c2)nn1
InChIInChI=1S/C17H15F3N4O2/c1-17(19,20)13-8-12(5-6-14(13)18)24-9-11(22-23-24)10-26-15-4-3-7-21-16(15)25-2/h3-9H,10H2,1-2H3
InChIKeyGZJYBVRYMVLQSP-UHFFFAOYSA-N
XLogP3.50
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine?
The IUPAC name of 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine (CID 130309831) is 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine.
What is the SMILES notation for 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine?
The canonical SMILES for 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine is COc1ncccc1OCc1cn(-c2ccc(F)c(C(C)(F)F)c2)nn1.
What is the InChIKey of 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine?
The InChIKey is GZJYBVRYMVLQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2/c1-17(19,20)13-8-12(5-6-14(13)18)24-9-11(22-23-24)10-26-15-4-3-7-21-16(15)25-2/h3-9H,10H2,1-2H3.
What are the key properties of 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine?
3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine has a molecular weight of 364.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[3-(1,1-difluoroethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-2-methoxypyridine is sourced from PubChem (CID 130309831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).