3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione

C9H6ClN3S — CID 106517801

IUPAC3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione
SMILESS=c1[nH]nc(Cl)cc1-c1ccccn1
InChIInChI=1S/C9H6ClN3S/c10-8-5-6(9(14)13-12-8)7-3-1-2-4-11-7/h1-5H,(H,13,14)
InChIKeySNBIFJXYKWDUNM-UHFFFAOYSA-N
MW223.69 g/mol
LogP2.85
Rot. Bonds1

About 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione

3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione (PubChem CID 106517801) has the molecular formula C9H6ClN3S and a molecular weight of 223.69 g/mol. Its IUPAC name is 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione.

Molecular Properties

Compound Name3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione
PubChem CID106517801
Molecular FormulaC9H6ClN3S
Molecular Weight223.69 g/mol
Exact Mass223.00
IUPAC Name3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione
SMILESS=c1[nH]nc(Cl)cc1-c1ccccn1
InChIInChI=1S/C9H6ClN3S/c10-8-5-6(9(14)13-12-8)7-3-1-2-4-11-7/h1-5H,(H,13,14)
InChIKeySNBIFJXYKWDUNM-UHFFFAOYSA-N
XLogP2.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.69
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-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

3-chloro-5-(2-methylphenyl)-1H-pyridazine-6-thione
CID 106514485
2,5-dichloro-3-pyridin-2-ylpyridine
CID 150433968
3,4-diphenyl-5-pyridin-2-yl-1H-pyridazine-6-thione
CID 71084407
4,8-dipyridin-2-yl-1,5-naphthyridine
CID 141460445
5,8-dipyridin-2-ylquinoxaline
CID 102128450
2-(4-chloro-2-fluorophenyl)pyridine
CID 57200729
3-chloro-5-(2-fluoro-3-methoxyphenyl)-1H-pyridazine-6-thione
CID 106520541
2-[5-chloro-2-(3-chlorophenyl)-1H-pyrrol-3-yl]pyridine
CID 139752285
2-(2,5-dimethyl-4-pyridin-2-ylphenyl)pyridine
CID 118652406
2-(2,4,6-trichlorophenyl)pyridine
CID 71658630
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione?
The IUPAC name of 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione (CID 106517801) is 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione.
What is the SMILES notation for 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione?
The canonical SMILES for 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione is S=c1[nH]nc(Cl)cc1-c1ccccn1.
What is the InChIKey of 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione?
The InChIKey is SNBIFJXYKWDUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3S/c10-8-5-6(9(14)13-12-8)7-3-1-2-4-11-7/h1-5H,(H,13,14).
What are the key properties of 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione?
3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione has a molecular weight of 223.69 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-pyridin-2-yl-1H-pyridazine-6-thione is sourced from PubChem (CID 106517801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).