2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine

C18H13F6N3O2 — CID 18974774

IUPAC2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCn1nc(C(F)(F)F)cc1OCc1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F6N3O2/c1-27-16(9-14(26-27)18(22,23)24)28-10-12-5-3-7-15(25-12)29-13-6-2-4-11(8-13)17(19,20)21/h2-9H,10H2,1H3
InChIKeyAZSNCWXFXLVFQM-UHFFFAOYSA-N
MW417.31 g/mol
LogP5.22
Rot. Bonds5

About 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine

2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine (PubChem CID 18974774) has the molecular formula C18H13F6N3O2 and a molecular weight of 417.31 g/mol. Its IUPAC name is 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine
PubChem CID18974774
Molecular FormulaC18H13F6N3O2
Molecular Weight417.31 g/mol
Exact Mass417.09
IUPAC Name2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine
SMILESCn1nc(C(F)(F)F)cc1OCc1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C18H13F6N3O2/c1-27-16(9-14(26-27)18(22,23)24)28-10-12-5-3-7-15(25-12)29-13-6-2-4-11(8-13)17(19,20)21/h2-9H,10H2,1H3
InChIKeyAZSNCWXFXLVFQM-UHFFFAOYSA-N
XLogP5.22
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.31
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine (CID 18974774) is 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine is Cn1nc(C(F)(F)F)cc1OCc1cccc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is AZSNCWXFXLVFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6N3O2/c1-27-16(9-14(26-27)18(22,23)24)28-10-12-5-3-7-15(25-12)29-13-6-2-4-11(8-13)17(19,20)21/h2-9H,10H2,1H3.
What are the key properties of 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine?
2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 417.31 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxymethyl]-6-[3-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 18974774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).