2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)

C29H24BrN8OOs — CID 176846097

About 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)

2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine) (PubChem CID 176846097) has the molecular formula C29H24BrN8OOs and a molecular weight of 770.70 g/mol. Its IUPAC name is 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine).

Molecular Properties

• Compound Name: 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)
• PubChem CID: 176846097
• Molecular Formula: C29H24BrN8OOs
• Molecular Weight: 770.70 g/mol
• Exact Mass: 771.09
• IUPAC Name: 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)
• SMILES: O=C(CBr)Nc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
• InChI: InChI=1S/C13H10BrN2O.2C8H7N3.Os/c14-9-13(17)16-11-5-3-4-10(8-11)12-6-1-2-7-15-12;2*1-2-5-9-8(4-1)11-7-3-6-10-11;/h1-3,5-8H,9H2,(H,16,17);2*1-7H;/q-1;;;+1
• InChIKey: IIBLUTYZDZGLRX-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 103.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	770.70
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)?

The IUPAC name of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine) (CID 176846097) is 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine).

What is the SMILES notation for 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)?

The canonical SMILES for 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine) is O=C(CBr)Nc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.

What is the InChIKey of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)?

The InChIKey is IIBLUTYZDZGLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN2O.2C8H7N3.Os/c14-9-13(17)16-11-5-3-4-10(8-11)12-6-1-2-7-15-12;2*1-2-5-9-8(4-1)11-7-3-6-10-11;/h1-3,5-8H,9H2,(H,16,17);2*1-7H;/q-1;;;+1.

What are the key properties of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)?

2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine) has a molecular weight of 770.70 g/mol, XLogP of 5.41, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine) is sourced from PubChem (CID 176846097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).