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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane

C112H85Cl5F7N23O7S3 — CID 160973798

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane (PubChem CID 160973798) has the molecular formula C112H85Cl5F7N23O7S3 and a molecular weight of 2271.52 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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane.

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane
• PubChem CID: 160973798
• Molecular Formula: C112H85Cl5F7N23O7S3
• Molecular Weight: 2271.52 g/mol
• Exact Mass: 2267.45
• 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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane
• SMILES: C.C.C.C.CN1C=Nc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2S1(=O)=O.CN1C=Nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2S1(=O)=O.Cc1cc(-c2ncccc2-c2ccc3c(c2)S(=O)(=O)N(C)C=N3)ccc1F.Fc1cc(F)c(-c2ncccc2-c2ccc3ncnn3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncnn2n1.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)nc12
• InChI: InChI=1S/C20H16FN3O2S.2C19H13ClFN3O2S.C18H10ClFN4O.C16H8ClF2N5.C16H9ClFN5.4CH4/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;1-24-11-23-17-7-4-12(9-18(17)27(24,25)26)14-3-2-8-22-19(14)15-10-13(20)5-6-16(15)21;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;19-12-8-10(3-4-13(12)20)16-11(2-1-7-21-16)14-5-6-15-17(24-14)18(25)23-9-22-15;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;;;;/h3-12H,1-2H3;2*2-11H,1H3;1-9H,(H,22,23,25);1-8H;1-9H;4*1H4
• InChIKey: SYPFHQUGJKQGKK-UHFFFAOYSA-N
• XLogP: 26.98
• TPSA: 371.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 12
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2271.52
LogP ≤ 5	26.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane?

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane (CID 160973798) 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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane.

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane?

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane is C.C.C.C.CN1C=Nc2ccc(-c3cccnc3-c3cc(Cl)ccc3F)cc2S1(=O)=O.CN1C=Nc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)cc2S1(=O)=O.Cc1cc(-c2ncccc2-c2ccc3c(c2)S(=O)(=O)N(C)C=N3)ccc1F.Fc1cc(F)c(-c2ncccc2-c2ccc3ncnn3n2)cc1Cl.Fc1ccc(Cl)cc1-c1ncccc1-c1ccc2ncnn2n1.O=c1[nH]cnc2ccc(-c3cccnc3-c3ccc(F)c(Cl)c3)nc12.

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane?

The InChIKey is SYPFHQUGJKQGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2S.2C19H13ClFN3O2S.C18H10ClFN4O.C16H8ClF2N5.C16H9ClFN5.4CH4/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;1-24-11-23-17-7-4-12(9-18(17)27(24,25)26)14-3-2-8-22-19(14)15-10-13(20)5-6-16(15)21;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;19-12-8-10(3-4-13(12)20)16-11(2-1-7-21-16)14-5-6-15-17(24-14)18(25)23-9-22-15;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;;;;/h3-12H,1-2H3;2*2-11H,1H3;1-9H,(H,22,23,25);1-8H;1-9H;4*1H4.

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane?

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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane has a molecular weight of 2271.52 g/mol, XLogP of 26.98, 12 rotatable bonds, 1 hydrogen bond donors, and 26 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;7-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2-methyl-1λ6,2,4-benzothiadiazine 1,1-dioxide;6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-3H-pyrido[3,2-d]pyrimidin-4-one;6-[2-(5-chloro-2-fluorophenyl)-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;methane is sourced from PubChem (CID 160973798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).