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

C17H12F5N3O2 — CID 18974748

IUPAC2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2cc(F)cc(F)c2)n1
InChIInChI=1S/C17H12F5N3O2/c1-25-16(8-14(24-25)17(20,21)22)27-15-4-2-3-12(23-15)9-26-13-6-10(18)5-11(19)7-13/h2-8H,9H2,1H3
InChIKeyWLUCCUSKOPAJLX-UHFFFAOYSA-N
MW385.29 g/mol
LogP4.48
Rot. Bonds5

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

2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (PubChem CID 18974748) has the molecular formula C17H12F5N3O2 and a molecular weight of 385.29 g/mol. Its IUPAC name is 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.

Molecular Properties

Compound Name2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
PubChem CID18974748
Molecular FormulaC17H12F5N3O2
Molecular Weight385.29 g/mol
Exact Mass385.08
IUPAC Name2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine
SMILESCn1nc(C(F)(F)F)cc1Oc1cccc(COc2cc(F)cc(F)c2)n1
InChIInChI=1S/C17H12F5N3O2/c1-25-16(8-14(24-25)17(20,21)22)27-15-4-2-3-12(23-15)9-26-13-6-10(18)5-11(19)7-13/h2-8H,9H2,1H3
InChIKeyWLUCCUSKOPAJLX-UHFFFAOYSA-N
XLogP4.48
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.29
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The IUPAC name of 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine (CID 18974748) is 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine.
What is the SMILES notation for 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The canonical SMILES for 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is Cn1nc(C(F)(F)F)cc1Oc1cccc(COc2cc(F)cc(F)c2)n1.
What is the InChIKey of 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
The InChIKey is WLUCCUSKOPAJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N3O2/c1-25-16(8-14(24-25)17(20,21)22)27-15-4-2-3-12(23-15)9-26-13-6-10(18)5-11(19)7-13/h2-8H,9H2,1H3.
What are the key properties of 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine?
2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine has a molecular weight of 385.29 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenoxy)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]oxypyridine is sourced from PubChem (CID 18974748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).