3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

C17H13F2N3S — CID 122542944

IUPAC3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESCc1cc(F)c(CSc2ccc(-c3ccccn3)nn2)c(F)c1
InChIInChI=1S/C17H13F2N3S/c1-11-8-13(18)12(14(19)9-11)10-23-17-6-5-16(21-22-17)15-4-2-3-7-20-15/h2-9H,10H2,1H3
InChIKeySUZPNOZCRDYNEN-UHFFFAOYSA-N
MW329.38 g/mol
LogP4.42
Rot. Bonds4

About 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine

3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (PubChem CID 122542944) has the molecular formula C17H13F2N3S and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.

Molecular Properties

Compound Name3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
PubChem CID122542944
Molecular FormulaC17H13F2N3S
Molecular Weight329.38 g/mol
Exact Mass329.08
IUPAC Name3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
SMILESCc1cc(F)c(CSc2ccc(-c3ccccn3)nn2)c(F)c1
InChIInChI=1S/C17H13F2N3S/c1-11-8-13(18)12(14(19)9-11)10-23-17-6-5-16(21-22-17)15-4-2-3-7-20-15/h2-9H,10H2,1H3
InChIKeySUZPNOZCRDYNEN-UHFFFAOYSA-N
XLogP4.42
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-2-yl-6-[(2,4,6-trimethylphenyl)methylsulfanyl]pyridazine
CID 56678749
3-[(2,6-difluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56661662
3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 7207331
3-[(2-chloro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542941
4-[(3,4-difluorophenyl)methylsulfanyl]-2-methyl-6-pyridin-2-ylpyrimidine
CID 95921622
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937068
2-[[2,4,6-trimethyl-3,5-bis(pyridin-2-ylsulfanylmethyl)phenyl]methylsulfanyl]pyridine
CID 11329310
3,6-bis(4-propylsulfanyl-6-pyridin-2-yl-2-pyridinyl)pyridazine
CID 177463248
ethane;3-(6-methyl-2-pyridinyl)-6-pyridin-2-ylpyridazine
CID 143616936
propane;2-pyridin-2-ylpyridine
CID 158168510
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291

Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The IUPAC name of 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine (CID 122542944) is 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine.
What is the SMILES notation for 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The canonical SMILES for 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is Cc1cc(F)c(CSc2ccc(-c3ccccn3)nn2)c(F)c1.
What is the InChIKey of 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
The InChIKey is SUZPNOZCRDYNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3S/c1-11-8-13(18)12(14(19)9-11)10-23-17-6-5-16(21-22-17)15-4-2-3-7-20-15/h2-9H,10H2,1H3.
What are the key properties of 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine?
3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine has a molecular weight of 329.38 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine is sourced from PubChem (CID 122542944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).