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

C16H11ClFN3S — CID 7207491

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
SMILESFc1cccc(Cl)c1CSc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C16H11ClFN3S/c17-13-4-1-5-14(18)12(13)10-22-16-7-6-15(20-21-16)11-3-2-8-19-9-11/h1-9H,10H2
InChIKeyCSOHYEIYWRDAEH-UHFFFAOYSA-N
MW331.80 g/mol
LogP4.62
Rot. Bonds4

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

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine (PubChem CID 7207491) has the molecular formula C16H11ClFN3S and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
PubChem CID7207491
Molecular FormulaC16H11ClFN3S
Molecular Weight331.80 g/mol
Exact Mass331.03
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
SMILESFc1cccc(Cl)c1CSc1ccc(-c2cccnc2)nn1
InChIInChI=1S/C16H11ClFN3S/c17-13-4-1-5-14(18)12(13)10-22-16-7-6-15(20-21-16)11-3-2-8-19-9-11/h1-9H,10H2
InChIKeyCSOHYEIYWRDAEH-UHFFFAOYSA-N
XLogP4.62
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-imidazol-1-ylphenyl)pyridazine
CID 41005997
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937068
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine
CID 43937055
3-pyridin-3-yl-6-[[3-(trifluoromethyl)phenyl]methylsulfanyl]pyridazine
CID 8699888
3-[(2,6-difluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56661662
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
N-(2,5-dichlorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7688153
3-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]pyridine
CID 63016457
N-(3,4-difluorophenyl)-2-(6-pyridin-3-ylpyridazin-3-yl)sulfanylacetamide
CID 7222501
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 7532130
N-[(2-chloro-6-fluorophenyl)methyl]-4-(5-methylsulfanyl-3-pyridin-3-ylpyrazol-1-yl)aniline
CID 18677158
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-pyrrolidin-1-ylsulfonylpyridine
CID 7594028

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine (CID 7207491) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine is Fc1cccc(Cl)c1CSc1ccc(-c2cccnc2)nn1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
The InChIKey is CSOHYEIYWRDAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClFN3S/c17-13-4-1-5-14(18)12(13)10-22-16-7-6-15(20-21-16)11-3-2-8-19-9-11/h1-9H,10H2.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine has a molecular weight of 331.80 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine is sourced from PubChem (CID 7207491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).