3-amino-2-phenylsulfanylpyridine-4-carbonitrile

C12H9N3S — CID 82813419

IUPAC3-amino-2-phenylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2)c1N
InChIInChI=1S/C12H9N3S/c13-8-9-6-7-15-12(11(9)14)16-10-4-2-1-3-5-10/h1-7H,14H2
InChIKeyNPAALMNBCNLMBJ-UHFFFAOYSA-N
MW227.29 g/mol
LogP2.69
Rot. Bonds2

About 3-amino-2-phenylsulfanylpyridine-4-carbonitrile

3-amino-2-phenylsulfanylpyridine-4-carbonitrile (PubChem CID 82813419) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 3-amino-2-phenylsulfanylpyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-phenylsulfanylpyridine-4-carbonitrile
PubChem CID82813419
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name3-amino-2-phenylsulfanylpyridine-4-carbonitrile
SMILESN#Cc1ccnc(Sc2ccccc2)c1N
InChIInChI=1S/C12H9N3S/c13-8-9-6-7-15-12(11(9)14)16-10-4-2-1-3-5-10/h1-7H,14H2
InChIKeyNPAALMNBCNLMBJ-UHFFFAOYSA-N
XLogP2.69
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-amino-2-phenylsulfanylpyridine-4-carbonitrile 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 3-amino-2-phenylsulfanylpyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-phenylsulfanylpyridine-4-carbonitrile (CID 82813419) is 3-amino-2-phenylsulfanylpyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-phenylsulfanylpyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-phenylsulfanylpyridine-4-carbonitrile is N#Cc1ccnc(Sc2ccccc2)c1N.
What is the InChIKey of 3-amino-2-phenylsulfanylpyridine-4-carbonitrile?
The InChIKey is NPAALMNBCNLMBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c13-8-9-6-7-15-12(11(9)14)16-10-4-2-1-3-5-10/h1-7H,14H2.
What are the key properties of 3-amino-2-phenylsulfanylpyridine-4-carbonitrile?
3-amino-2-phenylsulfanylpyridine-4-carbonitrile has a molecular weight of 227.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylsulfanylpyridine-4-carbonitrile is sourced from PubChem (CID 82813419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).