2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C46H49BBr2Cl4N14O3 — CID 158152636

About 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (PubChem CID 158152636) has the molecular formula C46H49BBr2Cl4N14O3 and a molecular weight of 1158.42 g/mol. Its IUPAC name is 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

Molecular Properties

• Compound Name: 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• PubChem CID: 158152636
• Molecular Formula: C46H49BBr2Cl4N14O3
• Molecular Weight: 1158.42 g/mol
• Exact Mass: 1154.13
• IUPAC Name: 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline
• SMILES: CN(C)c1ccc(-c2cnc3ccc(Cl)nn23)cc1.CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Clc1ccc2ncc(Br)n2n1.Clc1ccc2nccn2n1.Nc1ccc(Cl)nn1.O=CCBr
• InChI: InChI=1S/C14H22BNO2.C14H13ClN4.C6H3BrClN3.C6H4ClN3.C4H4ClN3.C2H3BrO/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6;1-18(2)11-5-3-10(4-6-11)12-9-16-14-8-7-13(15)17-19(12)14;7-4-3-9-6-2-1-5(8)10-11(4)6;7-5-1-2-6-8-3-4-10(6)9-5;5-3-1-2-4(6)8-7-3;3-1-2-4/h7-10H,1-6H3;3-9H,1-2H3;1-3H;1-4H;1-2H,(H2,6,8);2H,1H2
• InChIKey: FVHMOLKITSLSBI-UHFFFAOYSA-N
• XLogP: 9.99
• TPSA: 184.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 5
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1158.42
LogP ≤ 5	9.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The IUPAC name of 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline (CID 158152636) is 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline.

What is the SMILES notation for 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The canonical SMILES for 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is CN(C)c1ccc(-c2cnc3ccc(Cl)nn23)cc1.CN(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Clc1ccc2ncc(Br)n2n1.Clc1ccc2nccn2n1.Nc1ccc(Cl)nn1.O=CCBr.

What is the InChIKey of 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

The InChIKey is FVHMOLKITSLSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BNO2.C14H13ClN4.C6H3BrClN3.C6H4ClN3.C4H4ClN3.C2H3BrO/c1-13(2)14(3,4)18-15(17-13)11-7-9-12(10-8-11)16(5)6;1-18(2)11-5-3-10(4-6-11)12-9-16-14-8-7-13(15)17-19(12)14;7-4-3-9-6-2-1-5(8)10-11(4)6;7-5-1-2-6-8-3-4-10(6)9-5;5-3-1-2-4(6)8-7-3;3-1-2-4/h7-10H,1-6H3;3-9H,1-2H3;1-3H;1-4H;1-2H,(H2,6,8);2H,1H2.

What are the key properties of 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline?

2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline has a molecular weight of 1158.42 g/mol, XLogP of 9.99, 5 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromoacetaldehyde;3-bromo-6-chloroimidazo[1,2-b]pyridazine;6-chloroimidazo[1,2-b]pyridazine;4-(6-chloroimidazo[1,2-b]pyridazin-3-yl)-N,N-dimethylaniline;6-chloropyridazin-3-amine;N,N-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline is sourced from PubChem (CID 158152636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).