6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

C103H65Cl5F6N26O4S2 — CID 159584899

About 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 159584899) has the molecular formula C103H65Cl5F6N26O4S2 and a molecular weight of 2086.22 g/mol. Its IUPAC name is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

• Compound Name: 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
• PubChem CID: 159584899
• Molecular Formula: C103H65Cl5F6N26O4S2
• Molecular Weight: 2086.22 g/mol
• Exact Mass: 2082.35
• IUPAC Name: 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide
• SMILES: CN1C=Nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2S1(=O)=O.Cc1cc(-c2ncccc2-c2ccc3c(c2)S(=O)(=O)N(C)C=N3)ccc1F.Clc1cccc(-c2ncccc2-c2ccc3ncnn3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccc3ncnn3n2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncnn3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncnn2n1
• InChI: InChI=1S/C20H16FN3O2S.C19H13ClFN3O2S.C16H8ClF2N5.2C16H9ClFN5.C16H10ClN5/c1-13-10-15(5-7-17(13)21)20-16(4-3-9-22-20)14-6-8-18-19(11-14)27(25,26)24(2)12-23-18;1-24-11-23-17-7-5-12(10-18(17)27(24,25)26)14-3-2-8-22-19(14)13-4-6-16(21)15(20)9-13;17-11-6-10(12(18)7-13(11)19)16-9(2-1-5-20-16)14-3-4-15-21-8-22-24(15)23-14;17-10-3-4-13(18)12(8-10)16-11(2-1-7-19-16)14-5-6-15-20-9-21-23(15)22-14;17-12-8-10(3-4-13(12)18)16-11(2-1-7-19-16)14-5-6-15-20-9-21-23(15)22-14;17-12-4-1-3-11(9-12)16-13(5-2-8-18-16)14-6-7-15-19-10-20-22(15)21-14/h3-12H,1-2H3;2-11H,1H3;1-8H;2*1-9H;1-10H
• InChIKey: MJMJKNSCQUTLQK-UHFFFAOYSA-N
• XLogP: 23.24
• TPSA: 349.14 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 12
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2086.22
LogP ≤ 5	23.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?

The IUPAC name of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 159584899) is 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide.

What is the SMILES notation for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?

The canonical SMILES for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is CN1C=Nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2S1(=O)=O.Cc1cc(-c2ncccc2-c2ccc3c(c2)S(=O)(=O)N(C)C=N3)ccc1F.Clc1cccc(-c2ncccc2-c2ccc3ncnn3n2)c1.Fc1cc(F)c(-c2ncccc2-c2ccc3ncnn3n2)cc1Cl.Fc1ccc(-c2ncccc2-c2ccc3ncnn3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncnn2n1.

What is the InChIKey of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?

The InChIKey is MJMJKNSCQUTLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S.C19H13ClFN3O2S.C16H8ClF2N5.2C16H9ClFN5.C16H10ClN5/c1-13-10-15(5-7-17(13)21)20-16(4-3-9-22-20)14-6-8-18-19(11-14)27(25,26)24(2)12-23-18;1-24-11-23-17-7-5-12(10-18(17)27(24,25)26)14-3-2-8-22-19(14)13-4-6-16(21)15(20)9-13;17-11-6-10(12(18)7-13(11)19)16-9(2-1-5-20-16)14-3-4-15-21-8-22-24(15)23-14;17-10-3-4-13(18)12(8-10)16-11(2-1-7-19-16)14-5-6-15-20-9-21-23(15)22-14;17-12-8-10(3-4-13(12)18)16-11(2-1-7-19-16)14-5-6-15-20-9-21-23(15)22-14;17-12-4-1-3-11(9-12)16-13(5-2-8-18-16)14-6-7-15-19-10-20-22(15)21-14/h3-12H,1-2H3;2-11H,1H3;1-8H;2*1-9H;1-10H.

What are the key properties of 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide?

6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 2086.22 g/mol, XLogP of 23.24, 12 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(5-chloro-2,4-difluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;6-[2-(3-chlorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-b]pyridazine;7-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 159584899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).