methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate

C19H15F2N3O2S — CID 151300901

IUPACmethyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)cc1
InChIInChI=1S/C19H15F2N3O2S/c1-26-19(25)18-16(22-11-6-8-12(27-2)9-7-11)10-15(23-24-18)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,23)
InChIKeyOCKAGWDODTUYDY-UHFFFAOYSA-N
MW387.41 g/mol
LogP4.67
Rot. Bonds5

About methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate

methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate (PubChem CID 151300901) has the molecular formula C19H15F2N3O2S and a molecular weight of 387.41 g/mol. Its IUPAC name is methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate
PubChem CID151300901
Molecular FormulaC19H15F2N3O2S
Molecular Weight387.41 g/mol
Exact Mass387.09
IUPAC Namemethyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate
SMILESCOC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)cc1
InChIInChI=1S/C19H15F2N3O2S/c1-26-19(25)18-16(22-11-6-8-12(27-2)9-7-11)10-15(23-24-18)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,23)
InChIKeyOCKAGWDODTUYDY-UHFFFAOYSA-N
XLogP4.67
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.41
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate (CID 151300901) is methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate is COC(=O)c1nnc(-c2c(F)cccc2F)cc1Nc1ccc(SC)cc1.
What is the InChIKey of methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate?
The InChIKey is OCKAGWDODTUYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2S/c1-26-19(25)18-16(22-11-6-8-12(27-2)9-7-11)10-15(23-24-18)17-13(20)4-3-5-14(17)21/h3-10H,1-2H3,(H,22,23).
What are the key properties of methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate?
methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate has a molecular weight of 387.41 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,6-difluorophenyl)-4-(4-methylsulfanylanilino)pyridazine-3-carboxylate is sourced from PubChem (CID 151300901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).