5-fluoropyridine-2,4-dicarboxylic acid

C7H4FNO4 — CID 122163674

IUPAC5-fluoropyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(F)cn1
InChIInChI=1S/C7H4FNO4/c8-4-2-9-5(7(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13)
InChIKeyYMTWJDCPCBQOIJ-UHFFFAOYSA-N
MW185.11 g/mol
LogP0.62
Rot. Bonds2

About 5-fluoropyridine-2,4-dicarboxylic acid

5-fluoropyridine-2,4-dicarboxylic acid (PubChem CID 122163674) has the molecular formula C7H4FNO4 and a molecular weight of 185.11 g/mol. Its IUPAC name is 5-fluoropyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name5-fluoropyridine-2,4-dicarboxylic acid
PubChem CID122163674
Molecular FormulaC7H4FNO4
Molecular Weight185.11 g/mol
Exact Mass185.01
IUPAC Name5-fluoropyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)c(F)cn1
InChIInChI=1S/C7H4FNO4/c8-4-2-9-5(7(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13)
InChIKeyYMTWJDCPCBQOIJ-UHFFFAOYSA-N
XLogP0.62
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.11
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyridine-2,4-dicarboxylic acid?
The IUPAC name of 5-fluoropyridine-2,4-dicarboxylic acid (CID 122163674) is 5-fluoropyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 5-fluoropyridine-2,4-dicarboxylic acid?
The canonical SMILES for 5-fluoropyridine-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)c(F)cn1.
What is the InChIKey of 5-fluoropyridine-2,4-dicarboxylic acid?
The InChIKey is YMTWJDCPCBQOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO4/c8-4-2-9-5(7(12)13)1-3(4)6(10)11/h1-2H,(H,10,11)(H,12,13).
What are the key properties of 5-fluoropyridine-2,4-dicarboxylic acid?
5-fluoropyridine-2,4-dicarboxylic acid has a molecular weight of 185.11 g/mol, XLogP of 0.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 122163674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).