bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride

C35H35BrCl5N15O6S — CID 161445030

About bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride

bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride (PubChem CID 161445030) has the molecular formula C35H35BrCl5N15O6S and a molecular weight of 1051.00 g/mol. Its IUPAC name is bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride.

Molecular Properties

• Compound Name: bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride
• PubChem CID: 161445030
• Molecular Formula: C35H35BrCl5N15O6S
• Molecular Weight: 1051.00 g/mol
• Exact Mass: 1047.02
• IUPAC Name: bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride
• SMILES: COC(=O)c1ccc2nccn2n1.COC(Br)OC.ClCc1ccc2nccn2n1.Clc1ccc2nccn2n1.Nc1ccc(Cl)nn1.O=S(Cl)Cl.OCc1ccc2nccn2n1
• InChI: InChI=1S/C8H7N3O2.C7H6ClN3.C7H7N3O.C6H4ClN3.C4H4ClN3.C3H7BrO2.Cl2OS/c1-13-8(12)6-2-3-7-9-4-5-11(7)10-6;8-5-6-1-2-7-9-3-4-11(7)10-6;11-5-6-1-2-7-8-3-4-10(7)9-6;7-5-1-2-6-8-3-4-10(6)9-5;5-3-1-2-4(6)8-7-3;1-5-3(4)6-2;1-4(2)3/h2-5H,1H3;1-4H,5H2;1-4,11H,5H2;1-4H;1-2H,(H2,6,8);3H,1-2H3
• InChIKey: VZTYEHJSUWQDOW-UHFFFAOYSA-N
• XLogP: 6.30
• TPSA: 254.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1051.00
LogP ≤ 5	6.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

The IUPAC name of bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride (CID 161445030) is bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride.

What is the SMILES notation for bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

The canonical SMILES for bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride is COC(=O)c1ccc2nccn2n1.COC(Br)OC.ClCc1ccc2nccn2n1.Clc1ccc2nccn2n1.Nc1ccc(Cl)nn1.O=S(Cl)Cl.OCc1ccc2nccn2n1.

What is the InChIKey of bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

The InChIKey is VZTYEHJSUWQDOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2.C7H6ClN3.C7H7N3O.C6H4ClN3.C4H4ClN3.C3H7BrO2.Cl2OS/c1-13-8(12)6-2-3-7-9-4-5-11(7)10-6;8-5-6-1-2-7-9-3-4-11(7)10-6;11-5-6-1-2-7-8-3-4-10(7)9-6;7-5-1-2-6-8-3-4-10(6)9-5;5-3-1-2-4(6)8-7-3;1-5-3(4)6-2;1-4(2)3/h2-5H,1H3;1-4H,5H2;1-4,11H,5H2;1-4H;1-2H,(H2,6,8);3H,1-2H3;.

What are the key properties of bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride?

bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride has a molecular weight of 1051.00 g/mol, XLogP of 6.30, 5 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for bromo(dimethoxy)methane;6-chloroimidazo[1,2-b]pyridazine;6-(chloromethyl)imidazo[1,2-b]pyridazine;6-chloropyridazin-3-amine;imidazo[1,2-b]pyridazin-6-ylmethanol;methyl imidazo[1,2-b]pyridazine-6-carboxylate;thionyl dichloride is sourced from PubChem (CID 161445030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).