2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile

C15H12N4O2S — CID 11255409

IUPAC2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C15H12N4O2S/c16-7-11-13(9-2-1-3-10(21)6-9)12(8-17)15(19-14(11)18)22-5-4-20/h1-3,6,20-21H,4-5H2,(H2,18,19)
InChIKeyKSIDXFDNKYWWRT-UHFFFAOYSA-N
MW312.35 g/mol
LogP1.86
Rot. Bonds4

About 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile

2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (PubChem CID 11255409) has the molecular formula C15H12N4O2S and a molecular weight of 312.35 g/mol. Its IUPAC name is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
PubChem CID11255409
Molecular FormulaC15H12N4O2S
Molecular Weight312.35 g/mol
Exact Mass312.07
IUPAC Name2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C15H12N4O2S/c16-7-11-13(9-2-1-3-10(21)6-9)12(8-17)15(19-14(11)18)22-5-4-20/h1-3,6,20-21H,4-5H2,(H2,18,19)
InChIKeyKSIDXFDNKYWWRT-UHFFFAOYSA-N
XLogP1.86
TPSA126.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile (CID 11255409) is 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is N#Cc1c(N)nc(SCCO)c(C#N)c1-c1cccc(O)c1.
What is the InChIKey of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
The InChIKey is KSIDXFDNKYWWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2S/c16-7-11-13(9-2-1-3-10(21)6-9)12(8-17)15(19-14(11)18)22-5-4-20/h1-3,6,20-21H,4-5H2,(H2,18,19).
What are the key properties of 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile?
2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile has a molecular weight of 312.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2-hydroxyethylsulfanyl)-4-(3-hydroxyphenyl)pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11255409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).