4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile

C15H14N2OS — CID 81052296

IUPAC4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(Sc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C15H14N2OS/c1-10-7-15(14(9-16)11(2)17-10)19-13-6-4-5-12(8-13)18-3/h4-8H,1-3H3
InChIKeyLJMMFZWUCUEIOK-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.73
Rot. Bonds3

About 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile

4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile (PubChem CID 81052296) has the molecular formula C15H14N2OS and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
PubChem CID81052296
Molecular FormulaC15H14N2OS
Molecular Weight270.36 g/mol
Exact Mass270.08
IUPAC Name4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile
SMILESCOc1cccc(Sc2cc(C)nc(C)c2C#N)c1
InChIInChI=1S/C15H14N2OS/c1-10-7-15(14(9-16)11(2)17-10)19-13-6-4-5-12(8-13)18-3/h4-8H,1-3H3
InChIKeyLJMMFZWUCUEIOK-UHFFFAOYSA-N
XLogP3.73
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile (CID 81052296) is 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile is COc1cccc(Sc2cc(C)nc(C)c2C#N)c1.
What is the InChIKey of 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile?
The InChIKey is LJMMFZWUCUEIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2OS/c1-10-7-15(14(9-16)11(2)17-10)19-13-6-4-5-12(8-13)18-3/h4-8H,1-3H3.
What are the key properties of 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile?
4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile has a molecular weight of 270.36 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenyl)sulfanyl-2,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 81052296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).