5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid

C24H14N4O8 — CID 118395524

IUPAC5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)nn3)nn2)c1
InChIInChI=1S/C24H14N4O8/c29-21(30)13-5-11(6-14(9-13)22(31)32)17-1-3-19(27-25-17)20-4-2-18(26-28-20)12-7-15(23(33)34)10-16(8-12)24(35)36/h1-10H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyFFUOSCULKYIPIY-UHFFFAOYSA-N
MW486.40 g/mol
LogP3.06
Rot. Bonds7

About 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid

5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid (PubChem CID 118395524) has the molecular formula C24H14N4O8 and a molecular weight of 486.40 g/mol. Its IUPAC name is 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid
PubChem CID118395524
Molecular FormulaC24H14N4O8
Molecular Weight486.40 g/mol
Exact Mass486.08
IUPAC Name5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)nn3)nn2)c1
InChIInChI=1S/C24H14N4O8/c29-21(30)13-5-11(6-14(9-13)22(31)32)17-1-3-19(27-25-17)20-4-2-18(26-28-20)12-7-15(23(33)34)10-16(8-12)24(35)36/h1-10H,(H,29,30)(H,31,32)(H,33,34)(H,35,36)
InChIKeyFFUOSCULKYIPIY-UHFFFAOYSA-N
XLogP3.06
TPSA200.76 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.40
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid (CID 118395524) is 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(C(=O)O)cc(-c2ccc(-c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)nn3)nn2)c1.
What is the InChIKey of 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid?
The InChIKey is FFUOSCULKYIPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14N4O8/c29-21(30)13-5-11(6-14(9-13)22(31)32)17-1-3-19(27-25-17)20-4-2-18(26-28-20)12-7-15(23(33)34)10-16(8-12)24(35)36/h1-10H,(H,29,30)(H,31,32)(H,33,34)(H,35,36).
What are the key properties of 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid?
5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid has a molecular weight of 486.40 g/mol, XLogP of 3.06, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-(3,5-dicarboxyphenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 118395524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).