carbon monoxide;bis(pyridine);rhenium

C14H10N2O4Re — CID 139128094

IUPACcarbon monoxide;bis(pyridine);rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.4CO.Re/c2*1-2-4-6-5-3-1;4*1-2;/h2*1-5H;;;;;
InChIKeyALJNRHFHCZWKQJ-UHFFFAOYSA-N
MW456.45 g/mol
LogP2.01
Rot. Bonds

About carbon monoxide;bis(pyridine);rhenium

carbon monoxide;bis(pyridine);rhenium (PubChem CID 139128094) has the molecular formula C14H10N2O4Re and a molecular weight of 456.45 g/mol. Its IUPAC name is carbon monoxide;bis(pyridine);rhenium.

Molecular Properties

Compound Namecarbon monoxide;bis(pyridine);rhenium
PubChem CID139128094
Molecular FormulaC14H10N2O4Re
Molecular Weight456.45 g/mol
Exact Mass457.02
IUPAC Namecarbon monoxide;bis(pyridine);rhenium
SMILES[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccncc1.c1ccncc1
InChIInChI=1S/2C5H5N.4CO.Re/c2*1-2-4-6-5-3-1;4*1-2;/h2*1-5H;;;;;
InChIKeyALJNRHFHCZWKQJ-UHFFFAOYSA-N
XLogP2.01
TPSA105.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 52.01
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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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;bis(pyridine);rhenium?
The IUPAC name of carbon monoxide;bis(pyridine);rhenium (CID 139128094) is carbon monoxide;bis(pyridine);rhenium.
What is the SMILES notation for carbon monoxide;bis(pyridine);rhenium?
The canonical SMILES for carbon monoxide;bis(pyridine);rhenium is [C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccncc1.c1ccncc1.
What is the InChIKey of carbon monoxide;bis(pyridine);rhenium?
The InChIKey is ALJNRHFHCZWKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H5N.4CO.Re/c2*1-2-4-6-5-3-1;4*1-2;/h2*1-5H;;;;;.
What are the key properties of carbon monoxide;bis(pyridine);rhenium?
carbon monoxide;bis(pyridine);rhenium has a molecular weight of 456.45 g/mol, XLogP of 2.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;bis(pyridine);rhenium is sourced from PubChem (CID 139128094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).