copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)

C28H26CuN4O4 — CID 45049625

IUPACcopper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
SMILESCOc1cccc(/C=N/c2cc(C)ccn2)c1[O-].COc1cccc(/C=N/c2cc(C)ccn2)c1[O-].[Cu+2]
InChIInChI=1S/2C14H14N2O2.Cu/c2*1-10-6-7-15-13(8-10)16-9-11-4-3-5-12(18-2)14(11)17;/h2*3-9,17H,1-2H3;/q;;+2/p-2/b2*16-9+;
InChIKeyKVJGOFLEWBRQHM-BSGNKXHSSA-L
MW546.09 g/mol
LogP4.44
Rot. Bonds6

About copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)

copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate) (PubChem CID 45049625) has the molecular formula C28H26CuN4O4 and a molecular weight of 546.09 g/mol. Its IUPAC name is copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate).

Molecular Properties

Compound Namecopper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
PubChem CID45049625
Molecular FormulaC28H26CuN4O4
Molecular Weight546.09 g/mol
Exact Mass545.13
IUPAC Namecopper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
SMILESCOc1cccc(/C=N/c2cc(C)ccn2)c1[O-].COc1cccc(/C=N/c2cc(C)ccn2)c1[O-].[Cu+2]
InChIInChI=1S/2C14H14N2O2.Cu/c2*1-10-6-7-15-13(8-10)16-9-11-4-3-5-12(18-2)14(11)17;/h2*3-9,17H,1-2H3;/q;;+2/p-2/b2*16-9+;
InChIKeyKVJGOFLEWBRQHM-BSGNKXHSSA-L
XLogP4.44
TPSA115.08 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.09
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)?
The IUPAC name of copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate) (CID 45049625) is copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate).
What is the SMILES notation for copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)?
The canonical SMILES for copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate) is COc1cccc(/C=N/c2cc(C)ccn2)c1[O-].COc1cccc(/C=N/c2cc(C)ccn2)c1[O-].[Cu+2].
What is the InChIKey of copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)?
The InChIKey is KVJGOFLEWBRQHM-BSGNKXHSSA-L. The full InChI is InChI=1S/2C14H14N2O2.Cu/c2*1-10-6-7-15-13(8-10)16-9-11-4-3-5-12(18-2)14(11)17;/h2*3-9,17H,1-2H3;/q;;+2/p-2/b2*16-9+;.
What are the key properties of copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)?
copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate) has a molecular weight of 546.09 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper bis(2-methoxy-6-[(4-methyl-2-pyridinyl)iminomethyl]phenolate) is sourced from PubChem (CID 45049625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).