carbon monoxide;2-pyridin-2-ylpyridine;rhenium

C13H8N2O3Re — CID 139182627

IUPACcarbon monoxide;2-pyridin-2-ylpyridine;rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.3CO.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;/h1-8H;;;;
InChIKeySOHSKSPGKYODJQ-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.03
Rot. Bonds1

About carbon monoxide;2-pyridin-2-ylpyridine;rhenium

carbon monoxide;2-pyridin-2-ylpyridine;rhenium (PubChem CID 139182627) has the molecular formula C13H8N2O3Re and a molecular weight of 426.43 g/mol. Its IUPAC name is carbon monoxide;2-pyridin-2-ylpyridine;rhenium.

Molecular Properties

Compound Namecarbon monoxide;2-pyridin-2-ylpyridine;rhenium
PubChem CID139182627
Molecular FormulaC13H8N2O3Re
Molecular Weight426.43 g/mol
Exact Mass427.01
IUPAC Namecarbon monoxide;2-pyridin-2-ylpyridine;rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.3CO.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;/h1-8H;;;;
InChIKeySOHSKSPGKYODJQ-UHFFFAOYSA-N
XLogP2.03
TPSA85.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide
CID 10961401
2-pyridin-2-ylpyridine;rhenium;tetrachloride
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nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-pyridin-2-ylpyridine;rhenium?
The IUPAC name of carbon monoxide;2-pyridin-2-ylpyridine;rhenium (CID 139182627) is carbon monoxide;2-pyridin-2-ylpyridine;rhenium.
What is the SMILES notation for carbon monoxide;2-pyridin-2-ylpyridine;rhenium?
The canonical SMILES for carbon monoxide;2-pyridin-2-ylpyridine;rhenium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of carbon monoxide;2-pyridin-2-ylpyridine;rhenium?
The InChIKey is SOHSKSPGKYODJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.3CO.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;3*1-2;/h1-8H;;;;.
What are the key properties of carbon monoxide;2-pyridin-2-ylpyridine;rhenium?
carbon monoxide;2-pyridin-2-ylpyridine;rhenium has a molecular weight of 426.43 g/mol, XLogP of 2.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-pyridin-2-ylpyridine;rhenium is sourced from PubChem (CID 139182627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).