2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine

C17H12F5N3O — CID 22590914

IUPAC2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCc1cc(Oc2ccc(F)c(F)c2)nc(-c2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C17H12F5N3O/c1-9-5-13(14-8-15(17(20,21)22)24-25(14)2)23-16(6-9)26-10-3-4-11(18)12(19)7-10/h3-8H,1-2H3
InChIKeyLHZLBYWOJOEPDN-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.88
Rot. Bonds3

About 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine

2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine (PubChem CID 22590914) has the molecular formula C17H12F5N3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
PubChem CID22590914
Molecular FormulaC17H12F5N3O
Molecular Weight369.29 g/mol
Exact Mass369.09
IUPAC Name2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCc1cc(Oc2ccc(F)c(F)c2)nc(-c2cc(C(F)(F)F)nn2C)c1
InChIInChI=1S/C17H12F5N3O/c1-9-5-13(14-8-15(17(20,21)22)24-25(14)2)23-16(6-9)26-10-3-4-11(18)12(19)7-10/h3-8H,1-2H3
InChIKeyLHZLBYWOJOEPDN-UHFFFAOYSA-N
XLogP4.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The IUPAC name of 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine (CID 22590914) is 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The canonical SMILES for 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine is Cc1cc(Oc2ccc(F)c(F)c2)nc(-c2cc(C(F)(F)F)nn2C)c1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The InChIKey is LHZLBYWOJOEPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N3O/c1-9-5-13(14-8-15(17(20,21)22)24-25(14)2)23-16(6-9)26-10-3-4-11(18)12(19)7-10/h3-8H,1-2H3.
What are the key properties of 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine has a molecular weight of 369.29 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-4-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine is sourced from PubChem (CID 22590914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).