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

C14H8N3O3Re- — CID 10961401

IUPACcarbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide
SMILES[C-]#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.CN.3CO.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;/h1-8H;;;;;/q;-1;;;;
InChIKeyKUAURFIPGNNVHI-UHFFFAOYSA-N
MW452.44 g/mol
LogP2.12
Rot. Bonds1

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

carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide (PubChem CID 10961401) has the molecular formula C14H8N3O3Re- and a molecular weight of 452.44 g/mol. Its IUPAC name is carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide.

Molecular Properties

Compound Namecarbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide
PubChem CID10961401
Molecular FormulaC14H8N3O3Re-
Molecular Weight452.44 g/mol
Exact Mass453.01
IUPAC Namecarbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide
SMILES[C-]#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C10H8N2.CN.3CO.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;/h1-8H;;;;;/q;-1;;;;
InChIKeyKUAURFIPGNNVHI-UHFFFAOYSA-N
XLogP2.12
TPSA109.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

carbon monoxide;2-pyridin-2-ylpyridine;rhenium
CID 139182627
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2,6-dipyridin-2-ylpyridine;iridium(3+);tricyanide
CID 58672256
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
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

Frequently Asked Questions

What is the IUPAC name of carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide?
The IUPAC name of carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide (CID 10961401) is carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide.
What is the SMILES notation for carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide?
The canonical SMILES for carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide is [C-]#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Re].c1ccc(-c2ccccn2)nc1.
What is the InChIKey of carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide?
The InChIKey is KUAURFIPGNNVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2.CN.3CO.Re/c1-3-7-11-9(5-1)10-6-2-4-8-12-10;4*1-2;/h1-8H;;;;;/q;-1;;;;.
What are the key properties of carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide?
carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide has a molecular weight of 452.44 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;2-pyridin-2-ylpyridine;rhenium;cyanide is sourced from PubChem (CID 10961401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).