6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

C14H9F3N2S — CID 1480202

IUPAC6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(Sc2ccccc2)n1
InChIInChI=1S/C14H9F3N2S/c1-9-7-12(14(15,16)17)11(8-18)13(19-9)20-10-5-3-2-4-6-10/h2-7H,1H3
InChIKeyYSYAQDCCXOXHSZ-UHFFFAOYSA-N
MW294.30 g/mol
LogP4.43
Rot. Bonds2

About 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 1480202) has the molecular formula C14H9F3N2S and a molecular weight of 294.30 g/mol. Its IUPAC name is 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID1480202
Molecular FormulaC14H9F3N2S
Molecular Weight294.30 g/mol
Exact Mass294.04
IUPAC Name6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)c(C#N)c(Sc2ccccc2)n1
InChIInChI=1S/C14H9F3N2S/c1-9-7-12(14(15,16)17)11(8-18)13(19-9)20-10-5-3-2-4-6-10/h2-7H,1H3
InChIKeyYSYAQDCCXOXHSZ-UHFFFAOYSA-N
XLogP4.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Pyridinecarbonitrile, 4,6-dimethyl-2-(methylthio)-
CID 676604
4-Methyl-2-(methylsulfanyl)-6-phenylpyridine-3-carbonitrile
CID 710280
4,6-Dimethyl-2-[(4-nitrobenzyl)thio]nicotinonitrile
CID 736358
4,6-Diphenyl-2-prop-2-ynylsulfanylpyridine-3-carbonitrile
CID 1725159
2-(Benzylsulfanyl)-4,6-dimethylnicotinonitrile
CID 698489
Ethyl 2-[3-cyano-6-phenyl-4-(trifluoromethyl)-2-pyridylthio]acetate
CID 1128972
2-(Ethylsulfanyl)-4,6-diphenylnicotinonitrile
CID 1731287
2-[(2-Aminophenyl)sulfanyl]-4,6-dimethylnicotinonitrile
CID 2726035
2-[(3-Methylphenyl)sulfanyl]-6-phenylnicotinonitrile
CID 2765222
4,6-Dimethyl-2-(2-piperidylethylthio)pyridine-3-carbonitrile
CID 725545
2-[(3-Bromophenyl)methylsulfanyl]-6-methylpyridine-3-carbonitrile
CID 845521
2-(3-Cyano-6-methyl-4-phenyl-pyridin-2-ylsulfanyl)-acetamide
CID 648486

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 1480202) is 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)c(C#N)c(Sc2ccccc2)n1.
What is the InChIKey of 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is YSYAQDCCXOXHSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3N2S/c1-9-7-12(14(15,16)17)11(8-18)13(19-9)20-10-5-3-2-4-6-10/h2-7H,1H3.
What are the key properties of 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 294.30 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenylsulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 1480202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).