2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile

C15H11ClN4S — CID 659287

IUPAC2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H11ClN4S/c1-2-21-15-11(8-18)13(10(7-17)14(19)20-15)9-5-3-4-6-12(9)16/h3-6H,2H2,1H3,(H2,19,20)
InChIKeyZDQBGAWRNRRFFD-UHFFFAOYSA-N
MW314.80 g/mol
LogP3.84
Rot. Bonds3

About 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile

2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 659287) has the molecular formula C15H11ClN4S and a molecular weight of 314.80 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID659287
Molecular FormulaC15H11ClN4S
Molecular Weight314.80 g/mol
Exact Mass314.04
IUPAC Name2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile
SMILESCCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N
InChIInChI=1S/C15H11ClN4S/c1-2-21-15-11(8-18)13(10(7-17)14(19)20-15)9-5-3-4-6-12(9)16/h3-6H,2H2,1H3,(H2,19,20)
InChIKeyZDQBGAWRNRRFFD-UHFFFAOYSA-N
XLogP3.84
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.80
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Amino-4-(4-chlorophenyl)-6-(methylthio)pyridine-3,5-dicarbonitrile
CID 661167
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-p-tolyl-pyridine-3,5-dicarbonitrile
CID 11301348
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
CID 11369938
2-Amino-4-(2-chlorophenyl)-6-(methylsulfanyl)pyridine-3,5-dicarbonitrile
CID 659242
2-Amino-6-(propylthio)-4-(p-tolyl)pyridine-3,5-dicarbonitrile
CID 660788
2-Amino-4-(4-methylphenyl)-6-[(2-methylprop-2-en-1-yl)sulfanyl]pyridine-3,5-dicarbonitrile
CID 892465
6-Amino-4-phenyl-2-prop-2-enylthiopyridine-3,5-dicarbonitrile
CID 2057307
2-Amino-6-(cyanomethylsulfanyl)-4-cyclohexylpyridine-3,5-dicarbonitrile
CID 3237836
2-Amino-6-(2-hydroxy-ethylsulfanyl)-4-m-tolyl-pyridine-3,5-dicarbonitrile
CID 11449747
2-Amino-4-(2-chlorophenyl)-6-(2-(diethylamino)ethylthio)pyridine-3,5-dicarbonitrile
CID 16100255
2-Amino-4-(2-chlorophenyl)-6-[(4-chlorophenyl)thio]pyridine-3,5-dicarbonitrile
CID 2818993
2-[(2-Chlorobenzyl)sulfanyl]-4,5,6-trimethylpyridine-3-carbonitrile
CID 755835

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile (CID 659287) is 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile is CCSc1nc(N)c(C#N)c(-c2ccccc2Cl)c1C#N.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is ZDQBGAWRNRRFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN4S/c1-2-21-15-11(8-18)13(10(7-17)14(19)20-15)9-5-3-4-6-12(9)16/h3-6H,2H2,1H3,(H2,19,20).
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 314.80 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-chlorophenyl)-6-ethylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 659287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).