copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)

C28H24CuF2N6O4 — CID 135484953

IUPACcopper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)
SMILESCOc1ccc(/C=N\N=C(/O)c2ccncc2)cc1F.COc1ccc(/C=N\N=C(/O)c2ccncc2)cc1F.[Cu]
InChIInChI=1S/2C14H12FN3O2.Cu/c2*1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11;/h2*2-9H,1H3,(H,18,19);/b2*17-9-;
InChIKeyOEEWMOREKJQLGI-IZVBJPKKSA-N
MW610.08 g/mol
LogP5.13
Rot. Bonds8

About copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)

copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) (PubChem CID 135484953) has the molecular formula C28H24CuF2N6O4 and a molecular weight of 610.08 g/mol. Its IUPAC name is copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid).

Molecular Properties

Compound Namecopper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)
PubChem CID135484953
Molecular FormulaC28H24CuF2N6O4
Molecular Weight610.08 g/mol
Exact Mass609.11
IUPAC Namecopper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)
SMILESCOc1ccc(/C=N\N=C(/O)c2ccncc2)cc1F.COc1ccc(/C=N\N=C(/O)c2ccncc2)cc1F.[Cu]
InChIInChI=1S/2C14H12FN3O2.Cu/c2*1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11;/h2*2-9H,1H3,(H,18,19);/b2*17-9-;
InChIKeyOEEWMOREKJQLGI-IZVBJPKKSA-N
XLogP5.13
TPSA134.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.08
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
The IUPAC name of copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) (CID 135484953) is copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid).
What is the SMILES notation for copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
The canonical SMILES for copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) is COc1ccc(/C=N\N=C(/O)c2ccncc2)cc1F.COc1ccc(/C=N\N=C(/O)c2ccncc2)cc1F.[Cu].
What is the InChIKey of copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
The InChIKey is OEEWMOREKJQLGI-IZVBJPKKSA-N. The full InChI is InChI=1S/2C14H12FN3O2.Cu/c2*1-20-13-3-2-10(8-12(13)15)9-17-18-14(19)11-4-6-16-7-5-11;/h2*2-9H,1H3,(H,18,19);/b2*17-9-;.
What are the key properties of copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid)?
copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) has a molecular weight of 610.08 g/mol, XLogP of 5.13, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis((NZ,4Z)-N-[(3-fluoro-4-methoxyphenyl)methylidene]pyridine-4-carbohydrazonic acid) is sourced from PubChem (CID 135484953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).