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;hydrobromide

C38H34Br4N14O6 — CID 161077279

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;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;hydrobromide (PubChem CID 161077279) has the molecular formula C38H34Br4N14O6 and a molecular weight of 1102.40 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;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;hydrobromide
• PubChem CID: 161077279
• Molecular Formula: C38H34Br4N14O6
• Molecular Weight: 1102.40 g/mol
• Exact Mass: 1097.95
• 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;hydrobromide
• SMILES: Br.BrCc1ccccn1.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.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;1H
• InChIKey: IRZOACDOXKLDNU-UHFFFAOYSA-N
• XLogP: 3.91
• TPSA: 244.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1102.40
LogP ≤ 5	3.91
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;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;hydrobromide (CID 161077279) 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;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;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;hydrobromide is Br.BrCc1ccccn1.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;hydrobromide?

The InChIKey is IRZOACDOXKLDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN7O3.C13H11BrN6O3.C6H6BrN.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;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;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;hydrobromide has a molecular weight of 1102.40 g/mol, XLogP of 3.91, 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;hydrobromide is sourced from PubChem (CID 161077279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).