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

C16H12ClN3S — CID 20900509

IUPAC3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESClc1cccc(CSc2ccc(-c3ccccn3)nn2)c1
InChIInChI=1S/C16H12ClN3S/c17-13-5-3-4-12(10-13)11-21-16-8-7-15(19-20-16)14-6-1-2-9-18-14/h1-10H,11H2
InChIKeyPODQMJPNLSGMMQ-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.48
Rot. Bonds4

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

3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 20900509) has the molecular formula C16H12ClN3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID20900509
Molecular FormulaC16H12ClN3S
Molecular Weight313.81 g/mol
Exact Mass313.04
IUPAC Name3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESClc1cccc(CSc2ccc(-c3ccccn3)nn2)c1
InChIInChI=1S/C16H12ClN3S/c17-13-5-3-4-12(10-13)11-21-16-8-7-15(19-20-16)14-6-1-2-9-18-14/h1-10H,11H2
InChIKeyPODQMJPNLSGMMQ-UHFFFAOYSA-N
XLogP4.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.48
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-[(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
3-(2-Pyridinyl)-6-(2-pyridinylmethylthio)pyridazine
CID 7162438
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

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (CID 20900509) is 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is Clc1cccc(CSc2ccc(-c3ccccn3)nn2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is PODQMJPNLSGMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3S/c17-13-5-3-4-12(10-13)11-21-16-8-7-15(19-20-16)14-6-1-2-9-18-14/h1-10H,11H2.
What are the key properties of 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 313.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 20900509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).