benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium

C25H30N3Os-3 — CID 158549694

IUPACbenzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
SMILESCC.CC.Cc1cc(-c2ccccn2)[n-]n1.[Os].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C9H8N3.2C6H5.2C2H6.Os/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-2-4-6-5-3-1;2*1-2;/h2-6H,1H3;2*1-5H;2*1-2H3;/q3*-1;;;
InChIKeyLXFJVAACKDAYIZ-UHFFFAOYSA-N
MW562.77 g/mol
LogP6.43
Rot. Bonds1

About benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium

benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium (PubChem CID 158549694) has the molecular formula C25H30N3Os-3 and a molecular weight of 562.77 g/mol. Its IUPAC name is benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium.

Molecular Properties

Compound Namebenzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
PubChem CID158549694
Molecular FormulaC25H30N3Os-3
Molecular Weight562.77 g/mol
Exact Mass564.21
IUPAC Namebenzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium
SMILESCC.CC.Cc1cc(-c2ccccn2)[n-]n1.[Os].[c-]1ccccc1.[c-]1ccccc1
InChIInChI=1S/C9H8N3.2C6H5.2C2H6.Os/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-2-4-6-5-3-1;2*1-2;/h2-6H,1H3;2*1-5H;2*1-2H3;/q3*-1;;;
InChIKeyLXFJVAACKDAYIZ-UHFFFAOYSA-N
XLogP6.43
TPSA39.88 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.77
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 22090468
iridium(3+);tris(2-(5-methylpyrazol-2-id-3-yl)pyridine)
CID 159822553
iridium;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 20807299
2-(5-methylpyrazol-2-id-3-yl)pyridine;platinum;bis(yttrium)
CID 148900201
bis(2-(5-methylpyrazol-2-id-3-yl)pyridine);osmium(2+);phosphane
CID 58788802
zinc;carbanide;2-(5-methylpyrazol-2-id-3-yl)pyridine
CID 156628337
2-(5-methylpyrazol-2-id-3-yl)pyridine;pyridine-2-carboxylic acid;zinc
CID 58858981
3-methyl-5-phenylpyrazol-1-ide;2-(4-methylpyrrol-1-id-2-yl)pyridine;platinum
CID 171055621
diphenyl(phenylmethyl)phosphanium;iridium(3+);2-(5-methylpyrazol-2-id-3-yl)pyridine;2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridine
CID 58567852
iridium(3+);2-(5-methylpyrazol-2-id-3-yl)-6-[3-[[6-(3-pyridin-2-yloxybenzene-2-id-1-yl)oxy-2-pyridinyl]oxy]benzene-2-id-1-yl]oxypyridine
CID 140597831
benzene;iridium;bis(pyridine);2-pyridin-2-ylpyridine
CID 58352556
cyanoboranuide;tetrakis(iron(2+));tetrakis(4-phenylpyridine);tetrakis(2-(3-pyridin-2-ylpyrazol-1-id-5-yl)pyridine)
CID 139180304

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium?
The IUPAC name of benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium (CID 158549694) is benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium.
What is the SMILES notation for benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium?
The canonical SMILES for benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium is CC.CC.Cc1cc(-c2ccccn2)[n-]n1.[Os].[c-]1ccccc1.[c-]1ccccc1.
What is the InChIKey of benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium?
The InChIKey is LXFJVAACKDAYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N3.2C6H5.2C2H6.Os/c1-7-6-9(12-11-7)8-4-2-3-5-10-8;2*1-2-4-6-5-3-1;2*1-2;/h2-6H,1H3;2*1-5H;2*1-2H3;/q3*-1;;;.
What are the key properties of benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium?
benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium has a molecular weight of 562.77 g/mol, XLogP of 6.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;2-(5-methylpyrazol-2-id-3-yl)pyridine;osmium is sourced from PubChem (CID 158549694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).