3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine

C19H16ClFN2S — CID 43937055

IUPAC3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine
SMILESCc1ccc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)c1
InChIInChI=1S/C19H16ClFN2S/c1-12-6-7-13(2)14(10-12)18-8-9-19(23-22-18)24-11-15-16(20)4-3-5-17(15)21/h3-10H,11H2,1-2H3
InChIKeyBICLQUNXOWGUFP-UHFFFAOYSA-N
MW358.87 g/mol
LogP5.85
Rot. Bonds4

About 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine

3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine (PubChem CID 43937055) has the molecular formula C19H16ClFN2S and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine
PubChem CID43937055
Molecular FormulaC19H16ClFN2S
Molecular Weight358.87 g/mol
Exact Mass358.07
IUPAC Name3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine
SMILESCc1ccc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)c1
InChIInChI=1S/C19H16ClFN2S/c1-12-6-7-13(2)14(10-12)18-8-9-19(23-22-18)24-11-15-16(20)4-3-5-17(15)21/h3-10H,11H2,1-2H3
InChIKeyBICLQUNXOWGUFP-UHFFFAOYSA-N
XLogP5.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.87
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine 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-(2,4,5-trimethylphenyl)pyridazine
CID 43937068
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-pyridin-3-ylpyridazine
CID 7207491
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-imidazol-1-ylphenyl)pyridazine
CID 41005997
3-[(3,4-dichlorophenyl)methylsulfanyl]-6-(2,4,5-trimethylphenyl)pyridazine
CID 43937004
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazole
CID 17384024
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(3-methylphenyl)-1,2,4-triazol-4-amine
CID 937547
6-[(2-chloro-6-fluorophenyl)methylsulfanyl]pyridin-3-amine
CID 43301399
3-[(2,6-difluorophenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 56661662
1,2-dichloro-4-[(2-chloro-6-fluorophenyl)methylsulfanyl]benzene
CID 2804332
5-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-(4-methylphenyl)tetrazole
CID 2615946
3-[(2,6-difluoro-4-methylphenyl)methylsulfanyl]-6-pyridin-2-ylpyridazine
CID 122542944
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-8-methyl-5H-[1,2,4]triazino[5,6-b]indole
CID 19209164

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine (CID 43937055) is 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine is Cc1ccc(C)c(-c2ccc(SCc3c(F)cccc3Cl)nn2)c1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine?
The InChIKey is BICLQUNXOWGUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2S/c1-12-6-7-13(2)14(10-12)18-8-9-19(23-22-18)24-11-15-16(20)4-3-5-17(15)21/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine?
3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine has a molecular weight of 358.87 g/mol, XLogP of 5.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(2,5-dimethylphenyl)pyridazine is sourced from PubChem (CID 43937055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).