5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate

C24H10N4O8-4 — CID 147492490

IUPAC5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate
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)/p-4
InChIKeyFFUOSCULKYIPIY-UHFFFAOYSA-J
MW482.36 g/mol
LogP-2.28
Rot. Bonds7

About 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate

5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate (PubChem CID 147492490) has the molecular formula C24H10N4O8-4 and a molecular weight of 482.36 g/mol. Its IUPAC name is 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Name5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate
PubChem CID147492490
Molecular FormulaC24H10N4O8-4
Molecular Weight482.36 g/mol
Exact Mass482.05
IUPAC Name5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate
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)/p-4
InChIKeyFFUOSCULKYIPIY-UHFFFAOYSA-J
XLogP-2.28
TPSA212.08 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.36
LogP ≤ 5-2.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate?
The IUPAC name of 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate (CID 147492490) is 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate.
What is the SMILES notation for 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate?
The canonical SMILES for 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate 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-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate?
The InChIKey is FFUOSCULKYIPIY-UHFFFAOYSA-J. 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)/p-4.
What are the key properties of 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate?
5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate has a molecular weight of 482.36 g/mol, XLogP of -2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[6-(3,5-dicarboxylatophenyl)pyridazin-3-yl]pyridazin-3-yl]benzene-1,3-dicarboxylate is sourced from PubChem (CID 147492490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).