4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid

C20H12N2O8 — CID 10431561

IUPAC4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3cc(C(=O)O)nc(C(=O)O)c3)cc2)cc(C(=O)O)n1
InChIInChI=1S/C20H12N2O8/c23-17(24)13-5-11(6-14(21-13)18(25)26)9-1-2-10(4-3-9)12-7-15(19(27)28)22-16(8-12)20(29)30/h1-8H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyRYFROVLZZNLBPZ-UHFFFAOYSA-N
MW408.32 g/mol
LogP2.60
Rot. Bonds6

About 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid

4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid (PubChem CID 10431561) has the molecular formula C20H12N2O8 and a molecular weight of 408.32 g/mol. Its IUPAC name is 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid
PubChem CID10431561
Molecular FormulaC20H12N2O8
Molecular Weight408.32 g/mol
Exact Mass408.06
IUPAC Name4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccc(-c3cc(C(=O)O)nc(C(=O)O)c3)cc2)cc(C(=O)O)n1
InChIInChI=1S/C20H12N2O8/c23-17(24)13-5-11(6-14(21-13)18(25)26)9-1-2-10(4-3-9)12-7-15(19(27)28)22-16(8-12)20(29)30/h1-8H,(H,23,24)(H,25,26)(H,27,28)(H,29,30)
InChIKeyRYFROVLZZNLBPZ-UHFFFAOYSA-N
XLogP2.60
TPSA174.98 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.32
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid (CID 10431561) is 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid is O=C(O)c1cc(-c2ccc(-c3cc(C(=O)O)nc(C(=O)O)c3)cc2)cc(C(=O)O)n1.
What is the InChIKey of 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid?
The InChIKey is RYFROVLZZNLBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12N2O8/c23-17(24)13-5-11(6-14(21-13)18(25)26)9-1-2-10(4-3-9)12-7-15(19(27)28)22-16(8-12)20(29)30/h1-8H,(H,23,24)(H,25,26)(H,27,28)(H,29,30).
What are the key properties of 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid?
4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid has a molecular weight of 408.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,6-dicarboxy-4-pyridinyl)phenyl]pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 10431561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).