4-(furan-2-yl)pyridine-2,6-dicarboxylic acid

C11H7NO5 — CID 138673812

IUPAC4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)cc(C(=O)O)n1
InChIInChI=1S/C11H7NO5/c13-10(14)7-4-6(9-2-1-3-17-9)5-8(12-7)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKeyIVWSZPMMWIPPIB-UHFFFAOYSA-N
MW233.18 g/mol
LogP1.74
Rot. Bonds3

About 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid

4-(furan-2-yl)pyridine-2,6-dicarboxylic acid (PubChem CID 138673812) has the molecular formula C11H7NO5 and a molecular weight of 233.18 g/mol. Its IUPAC name is 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid.

Molecular Properties

Compound Name4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
PubChem CID138673812
Molecular FormulaC11H7NO5
Molecular Weight233.18 g/mol
Exact Mass233.03
IUPAC Name4-(furan-2-yl)pyridine-2,6-dicarboxylic acid
SMILESO=C(O)c1cc(-c2ccco2)cc(C(=O)O)n1
InChIInChI=1S/C11H7NO5/c13-10(14)7-4-6(9-2-1-3-17-9)5-8(12-7)11(15)16/h1-5H,(H,13,14)(H,15,16)
InChIKeyIVWSZPMMWIPPIB-UHFFFAOYSA-N
XLogP1.74
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.18
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid?
The IUPAC name of 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid (CID 138673812) is 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid.
What is the SMILES notation for 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid?
The canonical SMILES for 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid is O=C(O)c1cc(-c2ccco2)cc(C(=O)O)n1.
What is the InChIKey of 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid?
The InChIKey is IVWSZPMMWIPPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7NO5/c13-10(14)7-4-6(9-2-1-3-17-9)5-8(12-7)11(15)16/h1-5H,(H,13,14)(H,15,16).
What are the key properties of 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid?
4-(furan-2-yl)pyridine-2,6-dicarboxylic acid has a molecular weight of 233.18 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)pyridine-2,6-dicarboxylic acid is sourced from PubChem (CID 138673812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).