2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)

C37H34BrN6OOs — CID 176846170

IUPAC2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(CBr)Nc1cc[c-]c(-c2ccccn2)c1.[Os+]
InChIInChI=1S/C13H10BrN2O.2C12H12N2.Os/c14-9-13(17)16-11-5-3-4-10(8-11)12-6-1-2-7-15-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-3,5-8H,9H2,(H,16,17);2*3-8H,1-2H3;/q-1;;;+1
InChIKeyZESWPDLMENJHSY-UHFFFAOYSA-N
MW848.85 g/mol
LogP8.40
Rot. Bonds5

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

2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) (PubChem CID 176846170) has the molecular formula C37H34BrN6OOs and a molecular weight of 848.85 g/mol. Its IUPAC name is 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+).

Molecular Properties

Compound Name2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)
PubChem CID176846170
Molecular FormulaC37H34BrN6OOs
Molecular Weight848.85 g/mol
Exact Mass849.16
IUPAC Name2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)
SMILESCc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(CBr)Nc1cc[c-]c(-c2ccccn2)c1.[Os+]
InChIInChI=1S/C13H10BrN2O.2C12H12N2.Os/c14-9-13(17)16-11-5-3-4-10(8-11)12-6-1-2-7-15-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-3,5-8H,9H2,(H,16,17);2*3-8H,1-2H3;/q-1;;;+1
InChIKeyZESWPDLMENJHSY-UHFFFAOYSA-N
XLogP8.40
TPSA93.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.85
LogP ≤ 58.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;osmium(1+);bis(2-pyridin-2-ylpyridine)
CID 176846112
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
2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)
CID 176846097
2-bromo-N-[3-(4-methyl-2-pyridinyl)benzene-4-id-1-yl]acetamide;bis(4-methyl-2-(3,4,5-trimethylpyrazol-1-yl)pyridine);osmium(1+)
CID 176846051
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
4-methyl-2-pyridin-2-ylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59651145
N-(3-methylphenyl)-2-(4-pyridin-2-yl-3,6-dihydro-2H-pyridin-1-yl)acetamide
CID 68874135
2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)-N-(3-methylphenyl)acetamide
CID 121116926
pentakis(iridium);pentakis(2-(3-methylbenzene-6-id-1-yl)pyridine);5-methyl-2-(3-methylbenzene-6-id-1-yl)pyridine;bis(4-methyl-2-phenylpyridine);bis(5-methyl-2-phenylpyridine)
CID 159709383
3-(4-methyl-2-pyridinyl)benzene-4-ide-1-carbonyl chloride;osmium(1+);bis(2-pyrazol-1-ylpyridine)
CID 176846052
2-(4-methyl-2-pyridinyl)-6-pyridin-2-ylpyridine
CID 66821845

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
The IUPAC name of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) (CID 176846170) is 2-bromo-N-(3-pyridin-2-ylbenzene-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-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
The canonical SMILES for 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) is Cc1ccnc(-c2cc(C)ccn2)c1.Cc1ccnc(-c2cc(C)ccn2)c1.O=C(CBr)Nc1cc[c-]c(-c2ccccn2)c1.[Os+].
What is the InChIKey of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
The InChIKey is ZESWPDLMENJHSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN2O.2C12H12N2.Os/c14-9-13(17)16-11-5-3-4-10(8-11)12-6-1-2-7-15-12;2*1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12;/h1-3,5-8H,9H2,(H,16,17);2*3-8H,1-2H3;/q-1;;;+1.
What are the key properties of 2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+)?
2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) has a molecular weight of 848.85 g/mol, XLogP of 8.40, 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-pyridin-2-ylbenzene-4-id-1-yl)acetamide;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);osmium(1+) is sourced from PubChem (CID 176846170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).