4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol

C18H11F4NO2 — CID 155511407

IUPAC4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol
SMILESCc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C18H11F4NO2/c1-8-12(10-5-15(21)18(25)16(22)6-10)2-11(7-23-8)9-3-13(19)17(24)14(20)4-9/h2-7,24-25H,1H3
InChIKeyPMRGRXLXKYUDIH-UHFFFAOYSA-N
MW349.28 g/mol
LogP4.69
Rot. Bonds2

About 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol

4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol (PubChem CID 155511407) has the molecular formula C18H11F4NO2 and a molecular weight of 349.28 g/mol. Its IUPAC name is 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol.

Molecular Properties

Compound Name4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol
PubChem CID155511407
Molecular FormulaC18H11F4NO2
Molecular Weight349.28 g/mol
Exact Mass349.07
IUPAC Name4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol
SMILESCc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1
InChIInChI=1S/C18H11F4NO2/c1-8-12(10-5-15(21)18(25)16(22)6-10)2-11(7-23-8)9-3-13(19)17(24)14(20)4-9/h2-7,24-25H,1H3
InChIKeyPMRGRXLXKYUDIH-UHFFFAOYSA-N
XLogP4.69
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol?
The IUPAC name of 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol (CID 155511407) is 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol.
What is the SMILES notation for 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol?
The canonical SMILES for 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol is Cc1ncc(-c2cc(F)c(O)c(F)c2)cc1-c1cc(F)c(O)c(F)c1.
What is the InChIKey of 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol?
The InChIKey is PMRGRXLXKYUDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4NO2/c1-8-12(10-5-15(21)18(25)16(22)6-10)2-11(7-23-8)9-3-13(19)17(24)14(20)4-9/h2-7,24-25H,1H3.
What are the key properties of 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol?
4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol has a molecular weight of 349.28 g/mol, XLogP of 4.69, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-difluoro-4-hydroxyphenyl)-6-methyl-3-pyridinyl]-2,6-difluorophenol is sourced from PubChem (CID 155511407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).