copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)

C26H22CuN4O2 — CID 45049434

IUPACcopper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)
SMILESCc1cccnc1/N=C/c1ccccc1[O-].Cc1cccnc1/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/2C13H12N2O.Cu/c2*1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16;/h2*2-9,16H,1H3;/q;;+2/p-2/b2*15-9+;
InChIKeyQECAEWLUNYUIPN-CGZWKZIFSA-L
MW486.03 g/mol
LogP4.43
Rot. Bonds4

About copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)

copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate) (PubChem CID 45049434) has the molecular formula C26H22CuN4O2 and a molecular weight of 486.03 g/mol. Its IUPAC name is copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate).

Molecular Properties

Compound Namecopper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)
PubChem CID45049434
Molecular FormulaC26H22CuN4O2
Molecular Weight486.03 g/mol
Exact Mass485.10
IUPAC Namecopper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)
SMILESCc1cccnc1/N=C/c1ccccc1[O-].Cc1cccnc1/N=C/c1ccccc1[O-].[Cu+2]
InChIInChI=1S/2C13H12N2O.Cu/c2*1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16;/h2*2-9,16H,1H3;/q;;+2/p-2/b2*15-9+;
InChIKeyQECAEWLUNYUIPN-CGZWKZIFSA-L
XLogP4.43
TPSA96.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.03
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)?
The IUPAC name of copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate) (CID 45049434) is copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate).
What is the SMILES notation for copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)?
The canonical SMILES for copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate) is Cc1cccnc1/N=C/c1ccccc1[O-].Cc1cccnc1/N=C/c1ccccc1[O-].[Cu+2].
What is the InChIKey of copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)?
The InChIKey is QECAEWLUNYUIPN-CGZWKZIFSA-L. The full InChI is InChI=1S/2C13H12N2O.Cu/c2*1-10-5-4-8-14-13(10)15-9-11-6-2-3-7-12(11)16;/h2*2-9,16H,1H3;/q;;+2/p-2/b2*15-9+;.
What are the key properties of copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate)?
copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate) has a molecular weight of 486.03 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-[(E)-(3-methyl-2-pyridinyl)iminomethyl]phenolate) is sourced from PubChem (CID 45049434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).