2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol

C14H14F2N2OS — CID 79163162

IUPAC2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccccc2SC(F)F)n1
InChIInChI=1S/C14H14F2N2OS/c1-9-6-7-12(19)11(18-9)8-17-10-4-2-3-5-13(10)20-14(15)16/h2-7,14,17,19H,8H2,1H3
InChIKeyLJYQREVZUHKGCL-UHFFFAOYSA-N
MW296.34 g/mol
LogP4.02
Rot. Bonds5

About 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol

2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol (PubChem CID 79163162) has the molecular formula C14H14F2N2OS and a molecular weight of 296.34 g/mol. Its IUPAC name is 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol
PubChem CID79163162
Molecular FormulaC14H14F2N2OS
Molecular Weight296.34 g/mol
Exact Mass296.08
IUPAC Name2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CNc2ccccc2SC(F)F)n1
InChIInChI=1S/C14H14F2N2OS/c1-9-6-7-12(19)11(18-9)8-17-10-4-2-3-5-13(10)20-14(15)16/h2-7,14,17,19H,8H2,1H3
InChIKeyLJYQREVZUHKGCL-UHFFFAOYSA-N
XLogP4.02
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol (CID 79163162) is 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CNc2ccccc2SC(F)F)n1.
What is the InChIKey of 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol?
The InChIKey is LJYQREVZUHKGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2OS/c1-9-6-7-12(19)11(18-9)8-17-10-4-2-3-5-13(10)20-14(15)16/h2-7,14,17,19H,8H2,1H3.
What are the key properties of 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol?
2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol has a molecular weight of 296.34 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethylsulfanyl)anilino]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 79163162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).