(3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane

C88H81BBr2Cl8IN17O18S2 — CID 163703346

About (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane

(3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane (PubChem CID 163703346) has the molecular formula C88H81BBr2Cl8IN17O18S2 and a molecular weight of 2310.00 g/mol. Its IUPAC name is (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane.

Molecular Properties

• Compound Name: (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane
• PubChem CID: 163703346
• Molecular Formula: C88H81BBr2Cl8IN17O18S2
• Molecular Weight: 2310.00 g/mol
• Exact Mass: 2303.04
• IUPAC Name: (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane
• SMILES: CCOC(=O)c1c[nH]n2c(Br)cnc2c1=O.CCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1OC.CCOC(=O)c1cnn2c(Br)cnc2c1OC.CI.COc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.N[C@H]1CCOc2ccccc21.OB(O)c1cc(Cl)cc(Cl)c1.S.S
• InChI: InChI=1S/C23H18Cl2N4O3.C16H13Cl2N3O3.C14H9Cl2N3O3.C10H10BrN3O3.C9H8BrN3O3.C9H11NO.C6H5BCl2O2.CH3I.2H2S/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13;1-3-24-16(22)12-7-20-21-13(8-19-15(21)14(12)23-2)9-4-10(17)6-11(18)5-9;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7;1-3-17-10(15)6-4-13-14-7(11)5-12-9(14)8(6)16-2;1-2-16-9(15)5-3-12-13-6(10)4-11-8(13)7(5)14;10-8-5-6-11-9-4-2-1-3-7(8)9;8-5-1-4(7(10)11)2-6(9)3-5;1-2;;/h2-5,8-12,18H,6-7H2,1H3,(H,28,30);4-8H,3H2,1-2H3;2-6H,1H3,(H,20,21);4-5H,3H2,1-2H3;3-4,12H,2H2,1H3;1-4,8H,5-6,10H2;1-3,10-11H;1H3;2*1H2/t18-;;;;;8-;;;;/m0....0..../s1
• InChIKey: SSUGNMIMOVROBQ-RAZYWWNXSA-N
• XLogP: 18.32
• TPSA: 438.08 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 32
• Rotatable Bonds: 17
• Heavy Atoms: 137
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2310.00
LogP ≤ 5	18.32
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane?

The IUPAC name of (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane (CID 163703346) is (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane.

What is the SMILES notation for (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane?

The canonical SMILES for (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane is CCOC(=O)c1c[nH]n2c(Br)cnc2c1=O.CCOC(=O)c1cnn2c(-c3cc(Cl)cc(Cl)c3)cnc2c1OC.CCOC(=O)c1cnn2c(Br)cnc2c1OC.CI.COc1c(C(=O)N[C@H]2CCOc3ccccc32)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.COc1c(C(=O)O)cnn2c(-c3cc(Cl)cc(Cl)c3)cnc12.N[C@H]1CCOc2ccccc21.OB(O)c1cc(Cl)cc(Cl)c1.S.S.

What is the InChIKey of (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane?

The InChIKey is SSUGNMIMOVROBQ-RAZYWWNXSA-N. The full InChI is InChI=1S/C23H18Cl2N4O3.C16H13Cl2N3O3.C14H9Cl2N3O3.C10H10BrN3O3.C9H8BrN3O3.C9H11NO.C6H5BCl2O2.CH3I.2H2S/c1-31-21-17(23(30)28-18-6-7-32-20-5-3-2-4-16(18)20)11-27-29-19(12-26-22(21)29)13-8-14(24)10-15(25)9-13;1-3-24-16(22)12-7-20-21-13(8-19-15(21)14(12)23-2)9-4-10(17)6-11(18)5-9;1-22-12-10(14(20)21)5-18-19-11(6-17-13(12)19)7-2-8(15)4-9(16)3-7;1-3-17-10(15)6-4-13-14-7(11)5-12-9(14)8(6)16-2;1-2-16-9(15)5-3-12-13-6(10)4-11-8(13)7(5)14;10-8-5-6-11-9-4-2-1-3-7(8)9;8-5-1-4(7(10)11)2-6(9)3-5;1-2;;/h2-5,8-12,18H,6-7H2,1H3,(H,28,30);4-8H,3H2,1-2H3;2-6H,1H3,(H,20,21);4-5H,3H2,1-2H3;3-4,12H,2H2,1H3;1-4,8H,5-6,10H2;1-3,10-11H;1H3;2*1H2/t18-;;;;;8-;;;;/m0....0..../s1.

What are the key properties of (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane?

(3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane has a molecular weight of 2310.00 g/mol, XLogP of 18.32, 17 rotatable bonds, 6 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dichlorophenyl)boronic acid;3-(3,5-dichlorophenyl)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-8-methoxyimidazo[1,2-b]pyridazine-7-carboxamide;3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylic acid;(4S)-3,4-dihydro-2H-chromen-4-amine;ethyl 3-bromo-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-bromo-8-oxo-5H-imidazo[1,2-b]pyridazine-7-carboxylate;ethyl 3-(3,5-dichlorophenyl)-8-methoxyimidazo[1,2-b]pyridazine-7-carboxylate;iodomethane;sulfane is sourced from PubChem (CID 163703346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).