2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile

C14H11N4OS+ — CID 3603324

IUPAC2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile
SMILESCSc1[nH+]c(N)c(C#N)c(-c2ccc(O)cc2)c1C#N
InChIInChI=1S/C14H10N4OS/c1-20-14-11(7-16)12(10(6-15)13(17)18-14)8-2-4-9(19)5-3-8/h2-5,19H,1H3,(H2,17,18)/p+1
InChIKeyQIESNCHLZIRXAB-UHFFFAOYSA-O
MW283.34 g/mol
LogP1.92
Rot. Bonds2

About 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile

2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile (PubChem CID 3603324) has the molecular formula C14H11N4OS+ and a molecular weight of 283.34 g/mol. Its IUPAC name is 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile
PubChem CID3603324
Molecular FormulaC14H11N4OS+
Molecular Weight283.34 g/mol
Exact Mass283.06
IUPAC Name2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile
SMILESCSc1[nH+]c(N)c(C#N)c(-c2ccc(O)cc2)c1C#N
InChIInChI=1S/C14H10N4OS/c1-20-14-11(7-16)12(10(6-15)13(17)18-14)8-2-4-9(19)5-3-8/h2-5,19H,1H3,(H2,17,18)/p+1
InChIKeyQIESNCHLZIRXAB-UHFFFAOYSA-O
XLogP1.92
TPSA107.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-benzylsulfanyl-4-(4-hydroxyphenyl)pyridin-1-ium-3,5-dicarbonitrile
CID 6962416
2-amino-6-(2-aminophenyl)sulfanyl-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile
CID 6966118
2-amino-6-methoxy-4-(4-methylsulfanylphenyl)pyridin-1-ium-3,5-dicarbonitrile
CID 7455654
2-amino-4-(4-hydroxyphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-1-ium-3-carbonitrile
CID 6920533
2-amino-4-benzyl-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 7650037
2-[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)pyridin-1-ium-2-yl]sulfanylacetamide
CID 7046390
2-amino-6-[[(4S)-3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl]sulfanyl]-4-(4-methylphenyl)pyridin-1-ium-3,5-dicarbonitrile
CID 6975081
2-amino-4-(2-methylpropyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile
CID 6991225
2-amino-6-(4-hydroxyphenyl)-4-(4-methoxyphenyl)pyridin-1-ium-3-carbonitrile
CID 6951829
2-amino-4-(4-methylphenyl)-5,6,7,8-tetrahydroquinolin-1-ium-3-carbonitrile
CID 7395737
2-amino-4-[4-(4-methylsulfanylphenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393917
2-amino-6-(4-hydroxyphenyl)-4-[4-(trifluoromethyl)phenyl]pyridine-3,5-dicarbonitrile
CID 136642954

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile (CID 3603324) is 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile is CSc1[nH+]c(N)c(C#N)c(-c2ccc(O)cc2)c1C#N.
What is the InChIKey of 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile?
The InChIKey is QIESNCHLZIRXAB-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H10N4OS/c1-20-14-11(7-16)12(10(6-15)13(17)18-14)8-2-4-9(19)5-3-8/h2-5,19H,1H3,(H2,17,18)/p+1.
What are the key properties of 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile?
2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile has a molecular weight of 283.34 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-hydroxyphenyl)-6-methylsulfanylpyridin-1-ium-3,5-dicarbonitrile is sourced from PubChem (CID 3603324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).