2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine

C16H13F3N4O — CID 130309470

IUPAC2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine
SMILESCc1cccc(OCc2cn(-c3ccc(F)c(C(F)F)c3)nn2)n1
InChIInChI=1S/C16H13F3N4O/c1-10-3-2-4-15(20-10)24-9-11-8-23(22-21-11)12-5-6-14(17)13(7-12)16(18)19/h2-8,16H,9H2,1H3
InChIKeyRQFODQBXSXAFLK-UHFFFAOYSA-N
MW334.30 g/mol
LogP3.63
Rot. Bonds5

About 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine

2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine (PubChem CID 130309470) has the molecular formula C16H13F3N4O and a molecular weight of 334.30 g/mol. Its IUPAC name is 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine.

Molecular Properties

Compound Name2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine
PubChem CID130309470
Molecular FormulaC16H13F3N4O
Molecular Weight334.30 g/mol
Exact Mass334.10
IUPAC Name2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine
SMILESCc1cccc(OCc2cn(-c3ccc(F)c(C(F)F)c3)nn2)n1
InChIInChI=1S/C16H13F3N4O/c1-10-3-2-4-15(20-10)24-9-11-8-23(22-21-11)12-5-6-14(17)13(7-12)16(18)19/h2-8,16H,9H2,1H3
InChIKeyRQFODQBXSXAFLK-UHFFFAOYSA-N
XLogP3.63
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.30
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine?
The IUPAC name of 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine (CID 130309470) is 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine.
What is the SMILES notation for 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine?
The canonical SMILES for 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine is Cc1cccc(OCc2cn(-c3ccc(F)c(C(F)F)c3)nn2)n1.
What is the InChIKey of 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine?
The InChIKey is RQFODQBXSXAFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N4O/c1-10-3-2-4-15(20-10)24-9-11-8-23(22-21-11)12-5-6-14(17)13(7-12)16(18)19/h2-8,16H,9H2,1H3.
What are the key properties of 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine?
2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine has a molecular weight of 334.30 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[3-(difluoromethyl)-4-fluorophenyl]triazol-4-yl]methoxy]-6-methylpyridine is sourced from PubChem (CID 130309470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).