5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid

C25H16N2O6 — CID 155051674

IUPAC5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)nc(-c3ccc(C(=O)O)nc3)c2)cc1
InChIInChI=1S/C25H16N2O6/c28-23(29)16-5-1-14(2-6-16)19-11-21(15-3-7-17(8-4-15)24(30)31)27-22(12-19)18-9-10-20(25(32)33)26-13-18/h1-13H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyZLKIBUQLQWGUTD-UHFFFAOYSA-N
MW440.41 g/mol
LogP4.57
Rot. Bonds6

About 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid

5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid (PubChem CID 155051674) has the molecular formula C25H16N2O6 and a molecular weight of 440.41 g/mol. Its IUPAC name is 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
PubChem CID155051674
Molecular FormulaC25H16N2O6
Molecular Weight440.41 g/mol
Exact Mass440.10
IUPAC Name5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)nc(-c3ccc(C(=O)O)nc3)c2)cc1
InChIInChI=1S/C25H16N2O6/c28-23(29)16-5-1-14(2-6-16)19-11-21(15-3-7-17(8-4-15)24(30)31)27-22(12-19)18-9-10-20(25(32)33)26-13-18/h1-13H,(H,28,29)(H,30,31)(H,32,33)
InChIKeyZLKIBUQLQWGUTD-UHFFFAOYSA-N
XLogP4.57
TPSA137.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.41
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid (CID 155051674) is 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid is O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)nc(-c3ccc(C(=O)O)nc3)c2)cc1.
What is the InChIKey of 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
The InChIKey is ZLKIBUQLQWGUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16N2O6/c28-23(29)16-5-1-14(2-6-16)19-11-21(15-3-7-17(8-4-15)24(30)31)27-22(12-19)18-9-10-20(25(32)33)26-13-18/h1-13H,(H,28,29)(H,30,31)(H,32,33).
What are the key properties of 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid?
5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid has a molecular weight of 440.41 g/mol, XLogP of 4.57, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,6-bis(4-carboxyphenyl)-2-pyridinyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 155051674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).