copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)

C28H16CuN4O16 — CID 59303577

IUPACcopper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)
SMILESO=C(O)c1cnc(-c2cc(C(=O)O)c(C(=O)O)cn2)cc1C(=O)O.O=C(O)c1cnc(-c2cc(C(=O)O)c(C(=O)O)cn2)cc1C(=O)O.[Cu]
InChIInChI=1S/2C14H8N2O8.Cu/c2*17-11(18)5-1-9(15-3-7(5)13(21)22)10-2-6(12(19)20)8(4-16-10)14(23)24;/h2*1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);
InChIKeyDLPYBZLFGHJFBH-UHFFFAOYSA-N
MW727.99 g/mol
LogP1.87
Rot. Bonds10

About copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)

copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid) (PubChem CID 59303577) has the molecular formula C28H16CuN4O16 and a molecular weight of 727.99 g/mol. Its IUPAC name is copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid).

Molecular Properties

Compound Namecopper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)
PubChem CID59303577
Molecular FormulaC28H16CuN4O16
Molecular Weight727.99 g/mol
Exact Mass726.99
IUPAC Namecopper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)
SMILESO=C(O)c1cnc(-c2cc(C(=O)O)c(C(=O)O)cn2)cc1C(=O)O.O=C(O)c1cnc(-c2cc(C(=O)O)c(C(=O)O)cn2)cc1C(=O)O.[Cu]
InChIInChI=1S/2C14H8N2O8.Cu/c2*17-11(18)5-1-9(15-3-7(5)13(21)22)10-2-6(12(19)20)8(4-16-10)14(23)24;/h2*1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);
InChIKeyDLPYBZLFGHJFBH-UHFFFAOYSA-N
XLogP1.87
TPSA349.96 Ų
H-Bond Donors8
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500727.99
LogP ≤ 51.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)?
The IUPAC name of copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid) (CID 59303577) is copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid).
What is the SMILES notation for copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)?
The canonical SMILES for copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid) is O=C(O)c1cnc(-c2cc(C(=O)O)c(C(=O)O)cn2)cc1C(=O)O.O=C(O)c1cnc(-c2cc(C(=O)O)c(C(=O)O)cn2)cc1C(=O)O.[Cu].
What is the InChIKey of copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)?
The InChIKey is DLPYBZLFGHJFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H8N2O8.Cu/c2*17-11(18)5-1-9(15-3-7(5)13(21)22)10-2-6(12(19)20)8(4-16-10)14(23)24;/h2*1-4H,(H,17,18)(H,19,20)(H,21,22)(H,23,24);.
What are the key properties of copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid)?
copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid) has a molecular weight of 727.99 g/mol, XLogP of 1.87, 10 rotatable bonds, 8 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for copper;bis(6-(4,5-dicarboxy-2-pyridinyl)pyridine-3,4-dicarboxylic acid) is sourced from PubChem (CID 59303577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).