benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone

C16H6Co2N2O8 — CID 131733191

IUPACbenzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone
SMILESN#Cc1ccccc1C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Co+2].[Co]
InChIInChI=1S/C8H4N2.2CHO.6CO.2Co/c9-5-7-3-1-2-4-8(7)6-10;8*1-2;;/h1-4H;2*1H;;;;;;;;/q;2*-1;;;;;;;;+2
InChIKeyWFSOYNQHPGPEPZ-UHFFFAOYSA-N
MW472.10 g/mol
LogP0.65
Rot. Bonds

About benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone

benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone (PubChem CID 131733191) has the molecular formula C16H6Co2N2O8 and a molecular weight of 472.10 g/mol. Its IUPAC name is benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone.

Molecular Properties

Compound Namebenzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone
PubChem CID131733191
Molecular FormulaC16H6Co2N2O8
Molecular Weight472.10 g/mol
Exact Mass471.88
IUPAC Namebenzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone
SMILESN#Cc1ccccc1C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Co+2].[Co]
InChIInChI=1S/C8H4N2.2CHO.6CO.2Co/c9-5-7-3-1-2-4-8(7)6-10;8*1-2;;/h1-4H;2*1H;;;;;;;;/q;2*-1;;;;;;;;+2
InChIKeyWFSOYNQHPGPEPZ-UHFFFAOYSA-N
XLogP0.65
TPSA201.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.10
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azane;benzene-1,2-dicarbonitrile
CID 141338892
benzene-1,2-dicarbonitrile;tetrahydrofluoride
CID 174356358
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CID 66675666
benzene-1,2-dicarbonitrile;palladium(2+);dichloride
CID 175388598
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CID 11116074
acetic acid;benzene-1,2-dicarbonitrile;molecular nitrogen
CID 174519097
7-oxocyclohepta-1,3,5-triene-1-carbonitrile
CID 582961
benzene-1,2-dicarbonitrile;prop-2-enenitrile
CID 175057961
2-[2-[2-[2-(2-hydroxyphenyl)ethynyl]phenyl]ethynyl]benzonitrile
CID 71419208
2-(2-cyanophenyl)sulfonylbenzonitrile
CID 18934243
2-chlorobenzonitrile
CID 139060041
2-methylbenzonitrile
CID 162098401

Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone?
The IUPAC name of benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone (CID 131733191) is benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone.
What is the SMILES notation for benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone?
The canonical SMILES for benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone is N#Cc1ccccc1C#N.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[CH-]=O.[CH-]=O.[Co+2].[Co].
What is the InChIKey of benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone?
The InChIKey is WFSOYNQHPGPEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2.2CHO.6CO.2Co/c9-5-7-3-1-2-4-8(7)6-10;8*1-2;;/h1-4H;2*1H;;;;;;;;/q;2*-1;;;;;;;;+2.
What are the key properties of benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone?
benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone has a molecular weight of 472.10 g/mol, XLogP of 0.65, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dicarbonitrile;carbon monoxide;cobalt;cobalt(2+);methanone is sourced from PubChem (CID 131733191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).