6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile

C15H14N2S — CID 62771802

IUPAC6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1cccc(CSc2nc(C)ccc2C#N)c1
InChIInChI=1S/C15H14N2S/c1-11-4-3-5-13(8-11)10-18-15-14(9-16)7-6-12(2)17-15/h3-8H,10H2,1-2H3
InChIKeyOYJYSFYBEFUPNU-UHFFFAOYSA-N
MW254.36 g/mol
LogP3.86
Rot. Bonds3

About 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile

6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile (PubChem CID 62771802) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
PubChem CID62771802
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
SMILESCc1cccc(CSc2nc(C)ccc2C#N)c1
InChIInChI=1S/C15H14N2S/c1-11-4-3-5-13(8-11)10-18-15-14(9-16)7-6-12(2)17-15/h3-8H,10H2,1-2H3
InChIKeyOYJYSFYBEFUPNU-UHFFFAOYSA-N
XLogP3.86
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
CID 81138237
2-chloro-4-[(3-methylphenyl)methylsulfanyl]benzonitrile
CID 62947000
5-ethyl-4,6-dimethyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 691792
2-amino-5-[(3-methylphenyl)methylsulfanyl]benzonitrile
CID 113324161
4-fluoro-2-[(3-methylphenyl)methylsulfanylmethyl]benzonitrile
CID 107906073
2-[(3-cyanophenyl)methylsulfanyl]-4,6-dimethylpyridine-3-carbonitrile
CID 40552199
2-chloro-5-methyl-4-[(3-methylphenyl)methylsulfanyl]pyrimidine
CID 79072442
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanylmethyl]benzoic acid
CID 28914266
2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-methylpyridine-3-carbonitrile;hydrochloride
CID 163329153
6-formyl-2-[(4-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile
CID 88972919
4-amino-2-[(3-methylphenyl)methylsulfanyl]-6-(trifluoromethyl)pyrimidine-5-carbonitrile
CID 100776333
2-methyl-4-[(3-methylphenyl)methylsulfanyl]quinazoline
CID 112774837

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile?
The IUPAC name of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile (CID 62771802) is 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile is Cc1cccc(CSc2nc(C)ccc2C#N)c1.
What is the InChIKey of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile?
The InChIKey is OYJYSFYBEFUPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-11-4-3-5-13(8-11)10-18-15-14(9-16)7-6-12(2)17-15/h3-8H,10H2,1-2H3.
What are the key properties of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile?
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile has a molecular weight of 254.36 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridine-3-carbonitrile is sourced from PubChem (CID 62771802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).