2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

C13H8N4OS — CID 2268937

IUPAC2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=S)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C13H8N4OS/c14-5-9-11(7-2-1-3-8(18)4-7)10(6-15)13(19)17-12(9)16/h1-4,18H,(H3,16,17,19)
InChIKeyWRBPNMFDZXBPJN-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.44
Rot. Bonds1

About 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile

2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (PubChem CID 2268937) has the molecular formula C13H8N4OS and a molecular weight of 268.30 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
PubChem CID2268937
Molecular FormulaC13H8N4OS
Molecular Weight268.30 g/mol
Exact Mass268.04
IUPAC Name2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
SMILESN#Cc1c(N)[nH]c(=S)c(C#N)c1-c1cccc(O)c1
InChIInChI=1S/C13H8N4OS/c14-5-9-11(7-2-1-3-8(18)4-7)10(6-15)13(19)17-12(9)16/h1-4,18H,(H3,16,17,19)
InChIKeyWRBPNMFDZXBPJN-UHFFFAOYSA-N
XLogP2.44
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_A(54)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile (CID 2268937) is 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is N#Cc1c(N)[nH]c(=S)c(C#N)c1-c1cccc(O)c1.
What is the InChIKey of 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is WRBPNMFDZXBPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N4OS/c14-5-9-11(7-2-1-3-8(18)4-7)10(6-15)13(19)17-12(9)16/h1-4,18H,(H3,16,17,19).
What are the key properties of 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 268.30 g/mol, XLogP of 2.44, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxyphenyl)-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 2268937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).