2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide

C40H42Br4N14O6 — CID 159832316

About 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide

2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide (PubChem CID 159832316) has the molecular formula C40H42Br4N14O6 and a molecular weight of 1134.48 g/mol. Its IUPAC name is 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide.

Molecular Properties

• Compound Name: 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide
• PubChem CID: 159832316
• Molecular Formula: C40H42Br4N14O6
• Molecular Weight: 1134.48 g/mol
• Exact Mass: 1130.01
• IUPAC Name: 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide
• SMILES: Br.BrCc1ccccn1.C.C.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1.Cn1c(=O)n(Cc2ccccn2)c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1
• InChI: InChI=1S/C19H16BrN7O3.C13H11BrN6O3.C6H6BrN.2CH4.BrH/c1-25-17-16(18(29)27(19(25)30)9-12-5-2-3-8-21-12)26(11-22-17)10-15(28)24-14-7-4-6-13(20)23-14;1-19-11-10(12(22)18-13(19)23)20(6-15-11)5-9(21)17-8-4-2-3-7(14)16-8;7-5-6-3-1-2-4-8-6;;;/h2-8,11H,9-10H2,1H3,(H,23,24,28);2-4,6H,5H2,1H3,(H,16,17,21)(H,18,22,23);1-4H,5H2;2*1H4;1H
• InChIKey: FUULYOLOUAVQID-UHFFFAOYSA-N
• XLogP: 5.18
• TPSA: 244.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1134.48
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide?

The IUPAC name of 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide (CID 159832316) is 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide.

What is the SMILES notation for 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide?

The canonical SMILES for 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide is Br.BrCc1ccccn1.C.C.Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1.Cn1c(=O)n(Cc2ccccn2)c(=O)c2c1ncn2CC(=O)Nc1cccc(Br)n1.

What is the InChIKey of 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide?

The InChIKey is FUULYOLOUAVQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN7O3.C13H11BrN6O3.C6H6BrN.2CH4.BrH/c1-25-17-16(18(29)27(19(25)30)9-12-5-2-3-8-21-12)26(11-22-17)10-15(28)24-14-7-4-6-13(20)23-14;1-19-11-10(12(22)18-13(19)23)20(6-15-11)5-9(21)17-8-4-2-3-7(14)16-8;7-5-6-3-1-2-4-8-6;;;/h2-8,11H,9-10H2,1H3,(H,23,24,28);2-4,6H,5H2,1H3,(H,16,17,21)(H,18,22,23);1-4H,5H2;2*1H4;1H.

What are the key properties of 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide?

2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide has a molecular weight of 1134.48 g/mol, XLogP of 5.18, 9 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(bromomethyl)pyridine;N-(6-bromo-2-pyridinyl)-2-(3-methyl-2,6-dioxopurin-7-yl)acetamide;N-(6-bromo-2-pyridinyl)-2-[3-methyl-2,6-dioxo-1-(pyridin-2-ylmethyl)purin-7-yl]acetamide;methane;hydrobromide is sourced from PubChem (CID 159832316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).