3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine

C17H13F5N4O — CID 58243463

IUPAC3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2ncc(F)cc2F)nnc1C(C)(C)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C17H13F5N4O/c1-17(2,27-14-11(21)4-8(18)5-12(14)22)16-25-24-15(26(16)3)13-10(20)6-9(19)7-23-13/h4-7H,1-3H3
InChIKeyYUYLYJLVGODXMI-UHFFFAOYSA-N
MW384.31 g/mol
LogP3.89
Rot. Bonds4

About 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine

3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 58243463) has the molecular formula C17H13F5N4O and a molecular weight of 384.31 g/mol. Its IUPAC name is 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine
PubChem CID58243463
Molecular FormulaC17H13F5N4O
Molecular Weight384.31 g/mol
Exact Mass384.10
IUPAC Name3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine
SMILESCn1c(-c2ncc(F)cc2F)nnc1C(C)(C)Oc1c(F)cc(F)cc1F
InChIInChI=1S/C17H13F5N4O/c1-17(2,27-14-11(21)4-8(18)5-12(14)22)16-25-24-15(26(16)3)13-10(20)6-9(19)7-23-13/h4-7H,1-3H3
InChIKeyYUYLYJLVGODXMI-UHFFFAOYSA-N
XLogP3.89
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.31
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine (CID 58243463) is 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine is Cn1c(-c2ncc(F)cc2F)nnc1C(C)(C)Oc1c(F)cc(F)cc1F.
What is the InChIKey of 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is YUYLYJLVGODXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N4O/c1-17(2,27-14-11(21)4-8(18)5-12(14)22)16-25-24-15(26(16)3)13-10(20)6-9(19)7-23-13/h4-7H,1-3H3.
What are the key properties of 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine?
3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 384.31 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-[4-methyl-5-[2-(2,4,6-trifluorophenoxy)propan-2-yl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 58243463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).