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

C19H10Cl2N4S — CID 2818993

IUPAC2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1Cl
InChIInChI=1S/C19H10Cl2N4S/c20-11-5-7-12(8-6-11)26-19-15(10-23)17(14(9-22)18(24)25-19)13-3-1-2-4-16(13)21/h1-8H,(H2,24,25)
InChIKeyMBIBRDAYPLTCFX-UHFFFAOYSA-N
MW397.29 g/mol
LogP5.53
Rot. Bonds3

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

2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile (PubChem CID 2818993) has the molecular formula C19H10Cl2N4S and a molecular weight of 397.29 g/mol. Its IUPAC name is 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile
PubChem CID2818993
Molecular FormulaC19H10Cl2N4S
Molecular Weight397.29 g/mol
Exact Mass396.00
IUPAC Name2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1Cl
InChIInChI=1S/C19H10Cl2N4S/c20-11-5-7-12(8-6-11)26-19-15(10-23)17(14(9-22)18(24)25-19)13-3-1-2-4-16(13)21/h1-8H,(H2,24,25)
InChIKeyMBIBRDAYPLTCFX-UHFFFAOYSA-N
XLogP5.53
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.29
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile (CID 2818993) is 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(Sc2ccc(Cl)cc2)c(C#N)c1-c1ccccc1Cl.
What is the InChIKey of 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is MBIBRDAYPLTCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2N4S/c20-11-5-7-12(8-6-11)26-19-15(10-23)17(14(9-22)18(24)25-19)13-3-1-2-4-16(13)21/h1-8H,(H2,24,25).
What are the key properties of 2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 397.29 g/mol, XLogP of 5.53, 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-(4-chlorophenyl)sulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2818993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).