2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile

C15H14N2S — CID 4083056

IUPAC2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccccc2)cc(C)c1C#N
InChIInChI=1S/C15H14N2S/c1-3-18-15-13(10-16)11(2)9-14(17-15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3
InChIKeyLBBNDZDNFBOLHL-UHFFFAOYSA-N
MW254.36 g/mol
LogP4.04
Rot. Bonds3

About 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile

2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile (PubChem CID 4083056) has the molecular formula C15H14N2S and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile
PubChem CID4083056
Molecular FormulaC15H14N2S
Molecular Weight254.36 g/mol
Exact Mass254.09
IUPAC Name2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile
SMILESCCSc1nc(-c2ccccc2)cc(C)c1C#N
InChIInChI=1S/C15H14N2S/c1-3-18-15-13(10-16)11(2)9-14(17-15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3
InChIKeyLBBNDZDNFBOLHL-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile?
The IUPAC name of 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile (CID 4083056) is 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile is CCSc1nc(-c2ccccc2)cc(C)c1C#N.
What is the InChIKey of 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile?
The InChIKey is LBBNDZDNFBOLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2S/c1-3-18-15-13(10-16)11(2)9-14(17-15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile?
2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile has a molecular weight of 254.36 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-4-methyl-6-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 4083056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).