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

C14H9ClN4S — CID 661167

IUPAC2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile
SMILESCSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H9ClN4S/c1-20-14-11(7-17)12(10(6-16)13(18)19-14)8-2-4-9(15)5-3-8/h2-5H,1H3,(H2,18,19)
InChIKeyVBGUCCHWFKIAQZ-UHFFFAOYSA-N
MW300.77 g/mol
LogP3.45
Rot. Bonds2

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

2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile (PubChem CID 661167) has the molecular formula C14H9ClN4S and a molecular weight of 300.77 g/mol. Its IUPAC name is 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile
PubChem CID661167
Molecular FormulaC14H9ClN4S
Molecular Weight300.77 g/mol
Exact Mass300.02
IUPAC Name2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile
SMILESCSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C14H9ClN4S/c1-20-14-11(7-17)12(10(6-16)13(18)19-14)8-2-4-9(15)5-3-8/h2-5H,1H3,(H2,18,19)
InChIKeyVBGUCCHWFKIAQZ-UHFFFAOYSA-N
XLogP3.45
TPSA86.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 659287
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CID 11369938
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CID 658286
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CID 659242
CID 659242
CID 660788
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CID 892465
CID 892465
CID 2057307
CID 2057307
CID 16100255
CID 16100255
CID 2818993
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CID 2818994
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CID 1900098
CID 1900098

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile (CID 661167) is 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile is CSc1nc(N)c(C#N)c(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile?
The InChIKey is VBGUCCHWFKIAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4S/c1-20-14-11(7-17)12(10(6-16)13(18)19-14)8-2-4-9(15)5-3-8/h2-5H,1H3,(H2,18,19).
What are the key properties of 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile?
2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile has a molecular weight of 300.77 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-chlorophenyl)-6-methylsulfanylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 661167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).