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

C17H12F5N3O — CID 71105372

IUPAC2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(OCc2c(F)cccc2F)nc1
InChIInChI=1S/C17H12F5N3O/c1-25-14(7-15(24-25)17(20,21)22)10-5-6-16(23-8-10)26-9-11-12(18)3-2-4-13(11)19/h2-8H,9H2,1H3
InChIKeyMCDUVVPSXMZZIS-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.36
Rot. Bonds4

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

2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine (PubChem CID 71105372) has the molecular formula C17H12F5N3O and a molecular weight of 369.29 g/mol. Its IUPAC name is 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
PubChem CID71105372
Molecular FormulaC17H12F5N3O
Molecular Weight369.29 g/mol
Exact Mass369.09
IUPAC Name2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine
SMILESCn1nc(C(F)(F)F)cc1-c1ccc(OCc2c(F)cccc2F)nc1
InChIInChI=1S/C17H12F5N3O/c1-25-14(7-15(24-25)17(20,21)22)10-5-6-16(23-8-10)26-9-11-12(18)3-2-4-13(11)19/h2-8H,9H2,1H3
InChIKeyMCDUVVPSXMZZIS-UHFFFAOYSA-N
XLogP4.36
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The IUPAC name of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine (CID 71105372) is 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The canonical SMILES for 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine is Cn1nc(C(F)(F)F)cc1-c1ccc(OCc2c(F)cccc2F)nc1.
What is the InChIKey of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
The InChIKey is MCDUVVPSXMZZIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N3O/c1-25-14(7-15(24-25)17(20,21)22)10-5-6-16(23-8-10)26-9-11-12(18)3-2-4-13(11)19/h2-8H,9H2,1H3.
What are the key properties of 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine?
2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine has a molecular weight of 369.29 g/mol, XLogP of 4.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluorophenyl)methoxy]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine is sourced from PubChem (CID 71105372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).