3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine

C17H14ClN3S — CID 56675406

IUPAC3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESClc1ccccc1CCSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C17H14ClN3S/c18-14-6-2-1-5-13(14)10-12-22-17-9-8-16(20-21-17)15-7-3-4-11-19-15/h1-9,11H,10,12H2
InChIKeyCCYTYNWZMMPEPH-UHFFFAOYSA-N
MW327.84 g/mol
LogP4.53
Rot. Bonds5

About 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine

3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 56675406) has the molecular formula C17H14ClN3S and a molecular weight of 327.84 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID56675406
Molecular FormulaC17H14ClN3S
Molecular Weight327.84 g/mol
Exact Mass327.06
IUPAC Name3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESClc1ccccc1CCSc1ccc(-c2ccccn2)nn1
InChIInChI=1S/C17H14ClN3S/c18-14-6-2-1-5-13(14)10-12-22-17-9-8-16(20-21-17)15-7-3-4-11-19-15/h1-9,11H,10,12H2
InChIKeyCCYTYNWZMMPEPH-UHFFFAOYSA-N
XLogP4.53
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 54.53
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
1-(4-Chlorophenyl)-2-(6-pyridin-4-ylpyridazin-3-yl)sulfanylethanone
CID 7207487
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-[(2,6-Dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 53484011
3-(4-Ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 7162180
6-Chloro-3-phenyl-4-(pyridin-4-yl)Pyridazine
CID 87264666
2-[(2,4-Dichlorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridine-3-carbonitrile
CID 1036389
3-(2-Pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
CID 7162438

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine (CID 56675406) is 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine is Clc1ccccc1CCSc1ccc(-c2ccccn2)nn1.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is CCYTYNWZMMPEPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3S/c18-14-6-2-1-5-13(14)10-12-22-17-9-8-16(20-21-17)15-7-3-4-11-19-15/h1-9,11H,10,12H2.
What are the key properties of 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 327.84 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 56675406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).