2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione

C9H8N2S — CID 106523088

IUPAC2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione
SMILESS=c1cc[nH]c(-c2ccc[nH]2)c1
InChIInChI=1S/C9H8N2S/c12-7-3-5-11-9(6-7)8-2-1-4-10-8/h1-6,10H,(H,11,12)
InChIKeyOKQJLTPDARRLDC-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.74
Rot. Bonds1

About 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione

2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione (PubChem CID 106523088) has the molecular formula C9H8N2S and a molecular weight of 176.24 g/mol. Its IUPAC name is 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione.

Molecular Properties

Compound Name2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione
PubChem CID106523088
Molecular FormulaC9H8N2S
Molecular Weight176.24 g/mol
Exact Mass176.04
IUPAC Name2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione
SMILESS=c1cc[nH]c(-c2ccc[nH]2)c1
InChIInChI=1S/C9H8N2S/c12-7-3-5-11-9(6-7)8-2-1-4-10-8/h1-6,10H,(H,11,12)
InChIKeyOKQJLTPDARRLDC-UHFFFAOYSA-N
XLogP2.74
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione with MolForge

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

Launch Full Analysis

Related Compounds

2-(2,4,5-trifluorophenyl)-1H-pyridine-4-thione
CID 106520198
methane;tris(1H-pyrrole);2-(1H-pyrrol-2-yl)-1H-pyrrole
CID 159141644
6-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-1H-pyridine-2-thione
CID 106523086
2-(3-propylphenyl)-1H-pyridine-4-thione
CID 106522006
2-quinolin-7-yl-1H-pyridine-4-thione
CID 106519741
5-(4-sulfanylidene-1H-pyridin-2-yl)thiophene-2-carbonitrile
CID 106516111
2-(3-fluoro-4-pyridinyl)-1H-pyridine-4-thione
CID 106521614
2-[3-(1H-pyrrol-2-yl)azulen-1-yl]-1H-pyrrole
CID 11265392
4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole
CID 67768010
2-(6-methoxy-3-pyridinyl)-1H-pyridine-4-thione
CID 106516047
2-(2-fluoro-4-methoxyphenyl)-1H-pyridine-4-thione
CID 106520915
2-(3,5-dibromophenyl)-1H-pyrrole
CID 14431153

Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione?
The IUPAC name of 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione (CID 106523088) is 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione.
What is the SMILES notation for 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione?
The canonical SMILES for 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione is S=c1cc[nH]c(-c2ccc[nH]2)c1.
What is the InChIKey of 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione?
The InChIKey is OKQJLTPDARRLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2S/c12-7-3-5-11-9(6-7)8-2-1-4-10-8/h1-6,10H,(H,11,12).
What are the key properties of 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione?
2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione has a molecular weight of 176.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrrol-2-yl)-1H-pyridine-4-thione is sourced from PubChem (CID 106523088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).