cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium

C12H11CoN2O+ — CID 50910415

IUPACcobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium
SMILES[Co].[OH2+]c1cccnc1/C=N/c1ccccc1
InChIInChI=1S/C12H10N2O.Co/c15-12-7-4-8-13-11(12)9-14-10-5-2-1-3-6-10;/h1-9,15H;/p+1/b14-9+;
InChIKeyWMVXCOINRRNOPQ-KYIGKLDSSA-O
MW258.17 g/mol
LogP2.27
Rot. Bonds2

About cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium

cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium (PubChem CID 50910415) has the molecular formula C12H11CoN2O+ and a molecular weight of 258.17 g/mol. Its IUPAC name is cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium.

Molecular Properties

Compound Namecobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium
PubChem CID50910415
Molecular FormulaC12H11CoN2O+
Molecular Weight258.17 g/mol
Exact Mass258.02
IUPAC Namecobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium
SMILES[Co].[OH2+]c1cccnc1/C=N/c1ccccc1
InChIInChI=1S/C12H10N2O.Co/c15-12-7-4-8-13-11(12)9-14-10-5-2-1-3-6-10;/h1-9,15H;/p+1/b14-9+;
InChIKeyWMVXCOINRRNOPQ-KYIGKLDSSA-O
XLogP2.27
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.17
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium?
The IUPAC name of cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium (CID 50910415) is cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium.
What is the SMILES notation for cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium?
The canonical SMILES for cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium is [Co].[OH2+]c1cccnc1/C=N/c1ccccc1.
What is the InChIKey of cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium?
The InChIKey is WMVXCOINRRNOPQ-KYIGKLDSSA-O. The full InChI is InChI=1S/C12H10N2O.Co/c15-12-7-4-8-13-11(12)9-14-10-5-2-1-3-6-10;/h1-9,15H;/p+1/b14-9+;.
What are the key properties of cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium?
cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium has a molecular weight of 258.17 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;[2-(phenyliminomethyl)-3-pyridinyl]oxidanium is sourced from PubChem (CID 50910415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).