copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)

C26H24CuN4O2 — CID 137200643

IUPACcopper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
SMILESCc1ccnc(/N=C/c2ccccc2O)c1.Cc1ccnc(/N=C/c2ccccc2O)c1.[Cu]
InChIInChI=1S/2C13H12N2O.Cu/c2*1-10-6-7-14-13(8-10)15-9-11-4-2-3-5-12(11)16;/h2*2-9,16H,1H3;/b2*15-9+;
InChIKeyDRTHDJZKZUDMQB-CGZWKZIFSA-N
MW488.05 g/mol
LogP5.69
Rot. Bonds4

About copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)

copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol) (PubChem CID 137200643) has the molecular formula C26H24CuN4O2 and a molecular weight of 488.05 g/mol. Its IUPAC name is copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol).

Molecular Properties

Compound Namecopper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
PubChem CID137200643
Molecular FormulaC26H24CuN4O2
Molecular Weight488.05 g/mol
Exact Mass487.12
IUPAC Namecopper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)
SMILESCc1ccnc(/N=C/c2ccccc2O)c1.Cc1ccnc(/N=C/c2ccccc2O)c1.[Cu]
InChIInChI=1S/2C13H12N2O.Cu/c2*1-10-6-7-14-13(8-10)15-9-11-4-2-3-5-12(11)16;/h2*2-9,16H,1H3;/b2*15-9+;
InChIKeyDRTHDJZKZUDMQB-CGZWKZIFSA-N
XLogP5.69
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.05
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 869448
copper bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenolate)
CID 45049441
2-[(4-ethyl-2-pyridinyl)iminomethyl]phenol
CID 135427221
1-[(4-methyl-2-pyridinyl)iminomethyl]naphthalen-2-ol
CID 809927
2,4-dichloro-6-[(4-methyl-2-pyridinyl)iminomethyl]phenol
CID 135759374
1-(2,4-dichlorophenyl)-N-(4-methyl-2-pyridinyl)methanimine
CID 132602552
1-(furan-2-yl)-N-(4-methyl-2-pyridinyl)methanimine
CID 11206226
2-[(3,5-dimethylphenyl)iminomethyl]phenol
CID 4108135
2-[(2-fluoro-5-methylphenyl)iminomethyl]phenol
CID 4857118
2-[(2-hydroxyphenyl)methylideneamino]-3-methylphenol
CID 584429
4-fluoro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 135908107
4-chloro-2-[(E)-pyridin-2-yliminomethyl]phenol
CID 137141289

Frequently Asked Questions

What is the IUPAC name of copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)?
The IUPAC name of copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol) (CID 137200643) is copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol).
What is the SMILES notation for copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)?
The canonical SMILES for copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol) is Cc1ccnc(/N=C/c2ccccc2O)c1.Cc1ccnc(/N=C/c2ccccc2O)c1.[Cu].
What is the InChIKey of copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)?
The InChIKey is DRTHDJZKZUDMQB-CGZWKZIFSA-N. The full InChI is InChI=1S/2C13H12N2O.Cu/c2*1-10-6-7-14-13(8-10)15-9-11-4-2-3-5-12(11)16;/h2*2-9,16H,1H3;/b2*15-9+;.
What are the key properties of copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol)?
copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol) has a molecular weight of 488.05 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(2-[(4-methyl-2-pyridinyl)iminomethyl]phenol) is sourced from PubChem (CID 137200643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).