2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)

C38H36BrN6OOs — CID 176846205

About 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)

2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) (PubChem CID 176846205) has the molecular formula C38H36BrN6OOs and a molecular weight of 862.88 g/mol. Its IUPAC name is 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+).

Molecular Properties

• Compound Name: 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)
• PubChem CID: 176846205
• Molecular Formula: C38H36BrN6OOs
• Molecular Weight: 862.88 g/mol
• Exact Mass: 863.17
• IUPAC Name: 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)
• SMILES: Cc1ccnc(-c2[c-]ccc(NC(=O)CBr)c2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Os+]
• InChI: InChI=1S/C14H12BrN2O.2C12H12N2.Os/c1-10-5-6-16-13(7-10)11-3-2-4-12(8-11)17-14(18)9-15;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h2,4-8H,9H2,1H3,(H,17,18);2*3-8H,1-2H3;/q-1;;;+1
• InChIKey: PUIIASHOLYFXLJ-UHFFFAOYSA-N
• XLogP: 8.71
• TPSA: 93.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	862.88
LogP ≤ 5	8.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?

The IUPAC name of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) (CID 176846205) is 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+).

What is the SMILES notation for 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?

The canonical SMILES for 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) is Cc1ccnc(-c2[c-]ccc(NC(=O)CBr)c2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.[Os+].

What is the InChIKey of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?

The InChIKey is PUIIASHOLYFXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN2O.2C12H12N2.Os/c1-10-5-6-16-13(7-10)11-3-2-4-12(8-11)17-14(18)9-15;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h2,4-8H,9H2,1H3,(H,17,18);2*3-8H,1-2H3;/q-1;;;+1.

What are the key properties of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?

2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) has a molecular weight of 862.88 g/mol, XLogP of 8.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) is sourced from PubChem (CID 176846205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).