2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride

C99H137Br3Cl3N25O21Si3 — CID 159082396

About 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride

2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride (PubChem CID 159082396) has the molecular formula C99H137Br3Cl3N25O21Si3 and a molecular weight of 2443.67 g/mol. Its IUPAC name is 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride.

Molecular Properties

• Compound Name: 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride
• PubChem CID: 159082396
• Molecular Formula: C99H137Br3Cl3N25O21Si3
• Molecular Weight: 2443.67 g/mol
• Exact Mass: 2437.63
• IUPAC Name: 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride
• SMILES: BrCc1ccccn1.C.C.C.CCO.C[Si](C)(C)CCOCCl.Cl.Cn1c(=O)[nH]c(=O)c2c1nc(CO)n2COCC[Si](C)(C)C.Cn1c(=O)n(Cc2ccccn2)c(=O)c2c1nc(CO)n2CC(=O)Nc1cccc(Br)n1.Cn1c(=O)n(Cc2ccccn2)c(=O)c2c1nc(CO)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(CO)=N2.Cn1c2c(c(=O)n(Cc3ccccn3)c1=O)CC(CO)=N2.O=C(CCl)Cc1cccc(Br)n1
• InChI: InChI=1S/C20H18BrN7O4.C19H27N5O4Si.C14H14N4O3.C13H22N4O4Si.C8H7BrClNO.C8H9N3O3.C6H6BrN.C6H15ClOSi.C2H6O.3CH4.ClH/c1-26-18-17(19(31)28(20(26)32)9-12-5-2-3-8-22-12)27(15(11-29)25-18)10-16(30)24-14-7-4-6-13(21)23-14;1-22-17-16(18(26)23(19(22)27)11-14-7-5-6-8-20-14)24(15(12-25)21-17)13-28-9-10-29(2,3)4;1-17-12-11(6-10(8-19)16-12)13(20)18(14(17)21)7-9-4-2-3-5-15-9;1-16-11-10(12(19)15-13(16)20)17(9(7-18)14-11)8-21-5-6-22(2,3)4;9-8-3-1-2-6(11-8)4-7(12)5-10;1-11-6-5(2-4(3-12)9-6)7(13)10-8(11)14;7-5-6-3-1-2-4-8-6;1-9(2,3)5-4-8-6-7;1-2-3;;;;/h2-8,29H,9-11H2,1H3,(H,23,24,30);5-8,25H,9-13H2,1-4H3;2-5,19H,6-8H2,1H3;18H,5-8H2,1-4H3,(H,15,19,20);1-3H,4-5H2;12H,2-3H2,1H3,(H,10,13,14);1-4H,5H2;4-6H2,1-3H3;3H,2H2,1H3;3*1H4;1H
• InChIKey: KNBCSPMFBJFIPE-UHFFFAOYSA-N
• XLogP: 9.34
• TPSA: 592.48 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 43
• Rotatable Bonds: 32
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2443.67
LogP ≤ 5	9.34
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride?

The IUPAC name of 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride (CID 159082396) is 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride.

What is the SMILES notation for 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride?

The canonical SMILES for 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride is BrCc1ccccn1.C.C.C.CCO.C[Si](C)(C)CCOCCl.Cl.Cn1c(=O)[nH]c(=O)c2c1nc(CO)n2COCC[Si](C)(C)C.Cn1c(=O)n(Cc2ccccn2)c(=O)c2c1nc(CO)n2CC(=O)Nc1cccc(Br)n1.Cn1c(=O)n(Cc2ccccn2)c(=O)c2c1nc(CO)n2COCC[Si](C)(C)C.Cn1c2c(c(=O)[nH]c1=O)CC(CO)=N2.Cn1c2c(c(=O)n(Cc3ccccn3)c1=O)CC(CO)=N2.O=C(CCl)Cc1cccc(Br)n1.

What is the InChIKey of 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride?

The InChIKey is KNBCSPMFBJFIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN7O4.C19H27N5O4Si.C14H14N4O3.C13H22N4O4Si.C8H7BrClNO.C8H9N3O3.C6H6BrN.C6H15ClOSi.C2H6O.3CH4.ClH/c1-26-18-17(19(31)28(20(26)32)9-12-5-2-3-8-22-12)27(15(11-29)25-18)10-16(30)24-14-7-4-6-13(21)23-14;1-22-17-16(18(26)23(19(22)27)11-14-7-5-6-8-20-14)24(15(12-25)21-17)13-28-9-10-29(2,3)4;1-17-12-11(6-10(8-19)16-12)13(20)18(14(17)21)7-9-4-2-3-5-15-9;1-16-11-10(12(19)15-13(16)20)17(9(7-18)14-11)8-21-5-6-22(2,3)4;9-8-3-1-2-6(11-8)4-7(12)5-10;1-11-6-5(2-4(3-12)9-6)7(13)10-8(11)14;7-5-6-3-1-2-4-8-6;1-9(2,3)5-4-8-6-7;1-2-3;;;;/h2-8,29H,9-11H2,1H3,(H,23,24,30);5-8,25H,9-13H2,1-4H3;2-5,19H,6-8H2,1H3;18H,5-8H2,1-4H3,(H,15,19,20);1-3H,4-5H2;12H,2-3H2,1H3,(H,10,13,14);1-4H,5H2;4-6H2,1-3H3;3H,2H2,1H3;3*1H4;1H.

What are the key properties of 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride?

2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride has a molecular weight of 2443.67 g/mol, XLogP of 9.34, 32 rotatable bonds, 9 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)pyridine;1-(6-bromo-2-pyridinyl)-3-chloropropan-2-one;N-(6-bromo-2-pyridinyl)-2-[8-(hydroxymethyl)-3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;2-(chloromethoxy)ethyl-trimethylsilane;ethanol;6-(hydroxymethyl)-1-methyl-3-(pyridin-2-ylmethyl)-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-1-(pyridin-2-ylmethyl)-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;6-(hydroxymethyl)-1-methyl-5H-pyrrolo[2,3-d]pyrimidine-2,4-dione;8-(hydroxymethyl)-3-methyl-7-(2-trimethylsilylethoxymethyl)purine-2,6-dione;methane;hydrochloride is sourced from PubChem (CID 159082396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).