3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine

C17H13ClFN3S — CID 56664964

IUPAC3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESCC(Sc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFN3S/c1-11(17-12(18)5-4-6-13(17)19)23-16-9-8-15(21-22-16)14-7-2-3-10-20-14/h2-11H,1H3
InChIKeyHKWBSSPPZCQEOJ-UHFFFAOYSA-N
MW345.83 g/mol
LogP5.18
Rot. Bonds4

About 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine

3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 56664964) has the molecular formula C17H13ClFN3S and a molecular weight of 345.83 g/mol. Its IUPAC name is 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID56664964
Molecular FormulaC17H13ClFN3S
Molecular Weight345.83 g/mol
Exact Mass345.05
IUPAC Name3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESCC(Sc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl
InChIInChI=1S/C17H13ClFN3S/c1-11(17-12(18)5-4-6-13(17)19)23-16-9-8-15(21-22-16)14-7-2-3-10-20-14/h2-11H,1H3
InChIKeyHKWBSSPPZCQEOJ-UHFFFAOYSA-N
XLogP5.18
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.83
LogP ≤ 55.18
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-[(2,6-Dichlorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 53484011
3-(4-Ethylphenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
CID 7162180
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-(4-Chlorophenyl)-4-methylsulanyl-6-pyridin-4-ylpyridine
CID 2807422

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine (CID 56664964) is 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine is CC(Sc1ccc(-c2ccccn2)nn1)c1c(F)cccc1Cl.
What is the InChIKey of 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is HKWBSSPPZCQEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3S/c1-11(17-12(18)5-4-6-13(17)19)23-16-9-8-15(21-22-16)14-7-2-3-10-20-14/h2-11H,1H3.
What are the key properties of 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 345.83 g/mol, XLogP of 5.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-chloro-6-fluorophenyl)ethylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 56664964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).