3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

C16H11Cl2N3S — CID 53484011

IUPAC3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESClc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C16H11Cl2N3S/c17-12-4-3-5-13(18)11(12)10-22-16-8-7-15(20-21-16)14-6-1-2-9-19-14/h1-9H,10H2
InChIKeyVYBFDRKPRDWXQU-UHFFFAOYSA-N
MW348.26 g/mol
LogP5.14
Rot. Bonds4

About 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 53484011) has the molecular formula C16H11Cl2N3S and a molecular weight of 348.26 g/mol. Its IUPAC name is 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID53484011
Molecular FormulaC16H11Cl2N3S
Molecular Weight348.26 g/mol
Exact Mass347.01
IUPAC Name3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESClc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C16H11Cl2N3S/c17-12-4-3-5-13(18)11(12)10-22-16-8-7-15(20-21-16)14-6-1-2-9-19-14/h1-9H,10H2
InChIKeyVYBFDRKPRDWXQU-UHFFFAOYSA-N
XLogP5.14
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.26
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-Benzylsulfanyl-6-pyridin-2-ylpyridazine
CID 7207303
1-(4-Chlorophenylsulfanyl)-4-(4-pyridylmethyl)phthalazine
CID 6326415
3-Benzylsulfanyl-6-pyridin-3-ylpyridazine
CID 7207304
3-((2-Chloro-6-fluorobenzyl)thio)-6-(pyridin-3-yl)pyridazine
CID 7207491
3-(4-Chloro-phenyl)-6-(pyridin-2-ylmethylsulfanyl)-pyridazine
CID 3227974
3-((3-Chlorobenzyl)thio)-6-(pyridin-2-yl)pyridazine
CID 20900509
3-(4-Ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 7162180
2-[(2,4-Dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
CID 1036389
N-(3-chloro-2-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7207497
N-[(4-chlorophenyl)methyl]-2-(6-pyridin-2-ylpyridazin-3-yl)sulfanylacetamide
CID 7207502
N-(3-chloro-4-methylphenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222518
2-(2,6-Dichloro-benzylsulfanyl)-6-{[(E)-2-methyl-pyridin-3-ylimino]-methyl}-nicotinonitrile
CID 44371200

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (CID 53484011) is 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is Clc1cccc(Cl)c1CSc1ccc(-c2ccccn2)nn1.
What is the InChIKey of 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is VYBFDRKPRDWXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3S/c17-12-4-3-5-13(18)11(12)10-22-16-8-7-15(20-21-16)14-6-1-2-9-19-14/h1-9H,10H2.
What are the key properties of 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 348.26 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 53484011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).