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

C34H28BrN6OOs — CID 176846112

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

2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine) (PubChem CID 176846112) has the molecular formula C34H28BrN6OOs and a molecular weight of 806.77 g/mol. Its IUPAC name is 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine).

Molecular Properties

• Compound Name: 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine)
• PubChem CID: 176846112
• Molecular Formula: C34H28BrN6OOs
• Molecular Weight: 806.77 g/mol
• Exact Mass: 807.11
• IUPAC Name: 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine)
• SMILES: Cc1ccnc(-c2[c-]ccc(NC(=O)CBr)c2)c1.[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
• InChI: InChI=1S/C14H12BrN2O.2C10H8N2.Os/c1-10-5-6-16-13(7-10)11-3-2-4-12(8-11)17-14(18)9-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2,4-8H,9H2,1H3,(H,17,18);2*1-8H;/q-1;;;+1
• InChIKey: GMERVDBMKPHRMW-UHFFFAOYSA-N
• XLogP: 7.48
• TPSA: 93.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	806.77
LogP ≤ 5	7.48
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;osmium(1+);bis(2-pyridin-2-ylpyridine)?

The IUPAC name of 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine) (CID 176846112) is 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine).

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

The canonical SMILES for 2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine) is Cc1ccnc(-c2[c-]ccc(NC(=O)CBr)c2)c1.[Os+].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.

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

The InChIKey is GMERVDBMKPHRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN2O.2C10H8N2.Os/c1-10-5-6-16-13(7-10)11-3-2-4-12(8-11)17-14(18)9-15;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h2,4-8H,9H2,1H3,(H,17,18);2*1-8H;/q-1;;;+1.

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

2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine) has a molecular weight of 806.77 g/mol, XLogP of 7.48, 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;osmium(1+);bis(2-pyridin-2-ylpyridine) is sourced from PubChem (CID 176846112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).