4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

C14H13ClN2OS — CID 2835634

IUPAC4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1
InChIInChI=1S/C14H13ClN2OS/c1-2-19-14-11(8-16)10(7-13(18)17-14)9-5-3-4-6-12(9)15/h3-6,10H,2,7H2,1H3,(H,17,18)
InChIKeyZBTDNTUFQIVMTO-UHFFFAOYSA-N
MW292.79 g/mol
LogP3.43
Rot. Bonds3

About 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile

4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (PubChem CID 2835634) has the molecular formula C14H13ClN2OS and a molecular weight of 292.79 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
PubChem CID2835634
Molecular FormulaC14H13ClN2OS
Molecular Weight292.79 g/mol
Exact Mass292.04
IUPAC Name4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile
SMILESCCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1
InChIInChI=1S/C14H13ClN2OS/c1-2-19-14-11(8-16)10(7-13(18)17-14)9-5-3-4-6-12(9)15/h3-6,10H,2,7H2,1H3,(H,17,18)
InChIKeyZBTDNTUFQIVMTO-UHFFFAOYSA-N
XLogP3.43
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The IUPAC name of 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile (CID 2835634) is 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile.
What is the SMILES notation for 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The canonical SMILES for 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is CCSC1=C(C#N)C(c2ccccc2Cl)CC(=O)N1.
What is the InChIKey of 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
The InChIKey is ZBTDNTUFQIVMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2OS/c1-2-19-14-11(8-16)10(7-13(18)17-14)9-5-3-4-6-12(9)15/h3-6,10H,2,7H2,1H3,(H,17,18).
What are the key properties of 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile?
4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile has a molecular weight of 292.79 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-ethylsulfanyl-2-oxo-3,4-dihydro-1H-pyridine-5-carbonitrile is sourced from PubChem (CID 2835634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).