4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid

C14H9NO6 — CID 893698

IUPAC4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
SMILESO=C(O)c1cccc(-c2cc(C(=O)O)ncc2C(=O)O)c1
InChIInChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNBVHLJGGHJLTGM-UHFFFAOYSA-N
MW287.23 g/mol
LogP1.84
Rot. Bonds4

About 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid

4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid (PubChem CID 893698) has the molecular formula C14H9NO6 and a molecular weight of 287.23 g/mol. Its IUPAC name is 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid.

Molecular Properties

Compound Name4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
PubChem CID893698
Molecular FormulaC14H9NO6
Molecular Weight287.23 g/mol
Exact Mass287.04
IUPAC Name4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid
SMILESO=C(O)c1cccc(-c2cc(C(=O)O)ncc2C(=O)O)c1
InChIInChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21)
InChIKeyNBVHLJGGHJLTGM-UHFFFAOYSA-N
XLogP1.84
TPSA124.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid?
The IUPAC name of 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid (CID 893698) is 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid.
What is the SMILES notation for 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid?
The canonical SMILES for 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid is O=C(O)c1cccc(-c2cc(C(=O)O)ncc2C(=O)O)c1.
What is the InChIKey of 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid?
The InChIKey is NBVHLJGGHJLTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO6/c16-12(17)8-3-1-2-7(4-8)9-5-11(14(20)21)15-6-10(9)13(18)19/h1-6H,(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid?
4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid has a molecular weight of 287.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxyphenyl)pyridine-2,5-dicarboxylic acid is sourced from PubChem (CID 893698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).