4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol

C109H75BrCl3F11N18O11 — CID 159338229

About 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol

4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol (PubChem CID 159338229) has the molecular formula C109H75BrCl3F11N18O11 and a molecular weight of 2208.15 g/mol. Its IUPAC name is 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol.

Molecular Properties

• Compound Name: 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol
• PubChem CID: 159338229
• Molecular Formula: C109H75BrCl3F11N18O11
• Molecular Weight: 2208.15 g/mol
• Exact Mass: 2204.39
• IUPAC Name: 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol
• SMILES: CCOC(=O)c1c(F)cc2ncccc2c1F.CCOC(=O)c1c(F)cc2ncccc2c1F.Clc1ccc2ncc(Br)n2n1.Fc1cc2ncccc2cc1Cc1cnc2ccc(Cl)nn12.Nc1ccc(C(=O)O)c(F)c1.O=Cc1cc2cccnc2cc1F.O=Cc1ccc2ncccc2c1F.OC(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.OCc1cc2cccnc2cc1F.OCc1ccc2ncccc2c1F
• InChI: InChI=1S/C16H10ClFN4O.C16H10ClFN4.2C12H9F2NO2.C10H8FNO.C10H6FNO.C10H8FNO.C10H6FNO.C7H6FNO2.C6H3BrClN3/c17-14-3-4-15-20-8-13(22(15)21-14)16(23)10-6-9-2-1-5-19-12(9)7-11(10)18;17-15-3-4-16-20-9-12(22(16)21-15)7-11-6-10-2-1-5-19-14(10)8-13(11)18;2*1-2-17-12(16)10-8(13)6-9-7(11(10)14)4-3-5-15-9;2*11-10-7(6-13)3-4-9-8(10)2-1-5-12-9;2*11-9-5-10-7(2-1-3-12-10)4-8(9)6-13;8-6-3-4(9)1-2-5(6)7(10)11;7-4-3-9-6-2-1-5(8)10-11(4)6/h1-8,16,23H;1-6,8-9H,7H2;2*3-6H,2H2,1H3;1-5,13H,6H2;1-6H;1-5,13H,6H2;1-6H;1-3H,9H2,(H,10,11);1-3H
• InChIKey: LFUVWSWTKXBAQD-UHFFFAOYSA-N
• XLogP: 23.55
• TPSA: 404.44 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2208.15
LogP ≤ 5	23.55
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol?

The IUPAC name of 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol (CID 159338229) is 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol.

What is the SMILES notation for 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol?

The canonical SMILES for 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol is CCOC(=O)c1c(F)cc2ncccc2c1F.CCOC(=O)c1c(F)cc2ncccc2c1F.Clc1ccc2ncc(Br)n2n1.Fc1cc2ncccc2cc1Cc1cnc2ccc(Cl)nn12.Nc1ccc(C(=O)O)c(F)c1.O=Cc1cc2cccnc2cc1F.O=Cc1ccc2ncccc2c1F.OC(c1cc2cccnc2cc1F)c1cnc2ccc(Cl)nn12.OCc1cc2cccnc2cc1F.OCc1ccc2ncccc2c1F.

What is the InChIKey of 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol?

The InChIKey is LFUVWSWTKXBAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClFN4O.C16H10ClFN4.2C12H9F2NO2.C10H8FNO.C10H6FNO.C10H8FNO.C10H6FNO.C7H6FNO2.C6H3BrClN3/c17-14-3-4-15-20-8-13(22(15)21-14)16(23)10-6-9-2-1-5-19-12(9)7-11(10)18;17-15-3-4-16-20-9-12(22(16)21-15)7-11-6-10-2-1-5-19-14(10)8-13(11)18;2*1-2-17-12(16)10-8(13)6-9-7(11(10)14)4-3-5-15-9;2*11-10-7(6-13)3-4-9-8(10)2-1-5-12-9;2*11-9-5-10-7(2-1-3-12-10)4-8(9)6-13;8-6-3-4(9)1-2-5(6)7(10)11;7-4-3-9-6-2-1-5(8)10-11(4)6/h1-8,16,23H;1-6,8-9H,7H2;2*3-6H,2H2,1H3;1-5,13H,6H2;1-6H;1-5,13H,6H2;1-6H;1-3H,9H2,(H,10,11);1-3H.

What are the key properties of 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol?

4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol has a molecular weight of 2208.15 g/mol, XLogP of 23.55, 13 rotatable bonds, 5 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-fluorobenzoic acid;3-bromo-6-chloroimidazo[1,2-b]pyridazine;(6-chloroimidazo[1,2-b]pyridazin-3-yl)-(7-fluoroquinolin-6-yl)methanol;6-[(6-chloroimidazo[1,2-b]pyridazin-3-yl)methyl]-7-fluoroquinoline;bis(ethyl 5,7-difluoroquinoline-6-carboxylate);5-fluoroquinoline-6-carbaldehyde;7-fluoroquinoline-6-carbaldehyde;(5-fluoroquinolin-6-yl)methanol;(7-fluoroquinolin-6-yl)methanol is sourced from PubChem (CID 159338229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).