4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid

C13H9NO5 — CID 136706344

IUPAC4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)cc(C(=O)O)n1
InChIInChI=1S/C13H9NO5/c15-9-3-1-7(2-4-9)8-5-10(12(16)17)14-11(6-8)13(18)19/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyHDNLMSZDRXATCT-UHFFFAOYSA-N
MW259.22 g/mol
LogP1.85
Rot. Bonds3

About 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid

4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid (PubChem CID 136706344) has the molecular formula C13H9NO5 and a molecular weight of 259.22 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid
PubChem CID136706344
Molecular FormulaC13H9NO5
Molecular Weight259.22 g/mol
Exact Mass259.05
IUPAC Name4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccc(O)cc2)cc(C(=O)O)n1
InChIInChI=1S/C13H9NO5/c15-9-3-1-7(2-4-9)8-5-10(12(16)17)14-11(6-8)13(18)19/h1-6,15H,(H,16,17)(H,18,19)
InChIKeyHDNLMSZDRXATCT-UHFFFAOYSA-N
XLogP1.85
TPSA107.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid (CID 136706344) is 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid is O=C(O)c1cc(-c2ccc(O)cc2)cc(C(=O)O)n1.
What is the InChIKey of 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid?
The InChIKey is HDNLMSZDRXATCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO5/c15-9-3-1-7(2-4-9)8-5-10(12(16)17)14-11(6-8)13(18)19/h1-6,15H,(H,16,17)(H,18,19).
What are the key properties of 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid?
4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid has a molecular weight of 259.22 g/mol, XLogP of 1.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 136706344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).