2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

C9H8F2N2S — CID 2767650

IUPAC2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SC(F)F)n1
InChIInChI=1S/C9H8F2N2S/c1-5-3-6(2)13-8(7(5)4-12)14-9(10)11/h3,9H,1-2H3
InChIKeyUOFFSWICFMCWNR-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.88
Rot. Bonds2

About 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile

2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 2767650) has the molecular formula C9H8F2N2S and a molecular weight of 214.24 g/mol. Its IUPAC name is 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID2767650
Molecular FormulaC9H8F2N2S
Molecular Weight214.24 g/mol
Exact Mass214.04
IUPAC Name2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(SC(F)F)n1
InChIInChI=1S/C9H8F2N2S/c1-5-3-6(2)13-8(7(5)4-12)14-9(10)11/h3,9H,1-2H3
InChIKeyUOFFSWICFMCWNR-UHFFFAOYSA-N
XLogP2.88
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile (CID 2767650) is 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(SC(F)F)n1.
What is the InChIKey of 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is UOFFSWICFMCWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2S/c1-5-3-6(2)13-8(7(5)4-12)14-9(10)11/h3,9H,1-2H3.
What are the key properties of 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile?
2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 214.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 2767650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).