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

C16H13F3N4O2 — CID 130309474

IUPAC2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine
SMILESCc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)c1
InChIInChI=1S/C16H13F3N4O2/c1-10-4-5-20-15(6-10)24-9-11-8-23(22-21-11)12-2-3-13(17)14(7-12)25-16(18)19/h2-8,16H,9H2,1H3
InChIKeySQVJPWXQMLPLKF-UHFFFAOYSA-N
MW350.30 g/mol
LogP3.29
Rot. Bonds6

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

2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine (PubChem CID 130309474) 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]-4-methylpyridine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine
PubChem CID130309474
Molecular FormulaC16H13F3N4O2
Molecular Weight350.30 g/mol
Exact Mass350.10
IUPAC Name2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine
SMILESCc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)c1
InChIInChI=1S/C16H13F3N4O2/c1-10-4-5-20-15(6-10)24-9-11-8-23(22-21-11)12-2-3-13(17)14(7-12)25-16(18)19/h2-8,16H,9H2,1H3
InChIKeySQVJPWXQMLPLKF-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]-4-methylpyridine?
The IUPAC name of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine (CID 130309474) is 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine.
What is the SMILES notation for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine?
The canonical SMILES for 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine is Cc1ccnc(OCc2cn(-c3ccc(F)c(OC(F)F)c3)nn2)c1.
What is the InChIKey of 2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-methylpyridine?
The InChIKey is SQVJPWXQMLPLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O2/c1-10-4-5-20-15(6-10)24-9-11-8-23(22-21-11)12-2-3-13(17)14(7-12)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]-4-methylpyridine?
2-[[1-[3-(difluoromethoxy)-4-fluorophenyl]triazol-4-yl]methoxy]-4-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]-4-methylpyridine is sourced from PubChem (CID 130309474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).