osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine

C27H23N8Os — CID 176846079

IUPACosmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine
SMILESNc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/C11H9N2.2C8H7N3.Os/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;2*1-2-5-9-8(4-1)11-7-3-6-10-11;/h1-3,5-8H,12H2;2*1-7H;/q-1;;;+1
InChIKeyXAZKJQBAZTYGDT-UHFFFAOYSA-N
MW649.77 g/mol
LogP4.66
Rot. Bonds3

About osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine

osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine (PubChem CID 176846079) has the molecular formula C27H23N8Os and a molecular weight of 649.77 g/mol. Its IUPAC name is osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine.

Molecular Properties

Compound Nameosmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine
PubChem CID176846079
Molecular FormulaC27H23N8Os
Molecular Weight649.77 g/mol
Exact Mass651.17
IUPAC Nameosmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine
SMILESNc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1
InChIInChI=1S/C11H9N2.2C8H7N3.Os/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;2*1-2-5-9-8(4-1)11-7-3-6-10-11;/h1-3,5-8H,12H2;2*1-7H;/q-1;;;+1
InChIKeyXAZKJQBAZTYGDT-UHFFFAOYSA-N
XLogP4.66
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.77
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-(3-pyridin-2-ylbenzene-4-id-1-yl)acetamide;osmium(1+);bis(2-pyrazol-1-ylpyridine)
CID 176846097
3-(4-methyl-2-pyridinyl)benzene-4-ide-1-carbonyl chloride;osmium(1+);bis(2-pyrazol-1-ylpyridine)
CID 176846052
osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
CID 176846109
carbanide;3,5-di(pyrazol-1-yl)-4H-pyridin-4-ide;iridium(3+);2-phenylpyridine
CID 58965563
osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)oxymethanamine;bis(2-pyridin-2-ylpyridine)
CID 176846202
[3-(4-methoxy-2-pyridinyl)benzene-4-id-1-yl]methanamine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
CID 176846191
bis(iridium);2-phenylpyridine;1-[4-(trifluoromethyl)benzene-6-id-1-yl]pyrazole
CID 160529922
4-pyrazol-1-yl-2-pyridin-2-ylpyrimidine
CID 169409381
2-(3-methylbenzene-6-id-1-yl)-4-prop-2-enoxypyridine;bis(4-methyl-2-pyrazol-1-ylpyridine);osmium(1+)
CID 176846005
2,6-di(pyrazol-1-yl)pyridine;2,6-dipyridin-2-ylpyridine;ethane;methane;bis(prop-1-yne)
CID 158188771
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304

Frequently Asked Questions

What is the IUPAC name of osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine?
The IUPAC name of osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine (CID 176846079) is osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine.
What is the SMILES notation for osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine?
The canonical SMILES for osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine is Nc1cc[c-]c(-c2ccccn2)c1.[Os+].c1ccc(-n2cccn2)nc1.c1ccc(-n2cccn2)nc1.
What is the InChIKey of osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine?
The InChIKey is XAZKJQBAZTYGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N2.2C8H7N3.Os/c12-10-5-3-4-9(8-10)11-6-1-2-7-13-11;2*1-2-5-9-8(4-1)11-7-3-6-10-11;/h1-3,5-8H,12H2;2*1-7H;/q-1;;;+1.
What are the key properties of osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine?
osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine has a molecular weight of 649.77 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for osmium(1+);bis(2-pyrazol-1-ylpyridine);3-pyridin-2-ylbenzene-4-id-1-amine is sourced from PubChem (CID 176846079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).