5-fluoropyridine-2-carboxylic acid

C6H4FNO2 — CID 2762876

IUPAC5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)cn1
InChIInChI=1S/C6H4FNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKeyJTKFIIQGMVKDNZ-UHFFFAOYSA-N
MW141.10 g/mol
LogP0.92
Rot. Bonds1

About 5-fluoropyridine-2-carboxylic acid

5-fluoropyridine-2-carboxylic acid (PubChem CID 2762876) has the molecular formula C6H4FNO2 and a molecular weight of 141.10 g/mol. Its IUPAC name is 5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-fluoropyridine-2-carboxylic acid
PubChem CID2762876
Molecular FormulaC6H4FNO2
Molecular Weight141.10 g/mol
Exact Mass141.02
IUPAC Name5-fluoropyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(F)cn1
InChIInChI=1S/C6H4FNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10)
InChIKeyJTKFIIQGMVKDNZ-UHFFFAOYSA-N
XLogP0.92
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.10
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 5-fluoropyridine-2-carboxylic acid (CID 2762876) is 5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 5-fluoropyridine-2-carboxylic acid is O=C(O)c1ccc(F)cn1.
What is the InChIKey of 5-fluoropyridine-2-carboxylic acid?
The InChIKey is JTKFIIQGMVKDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3H,(H,9,10).
What are the key properties of 5-fluoropyridine-2-carboxylic acid?
5-fluoropyridine-2-carboxylic acid has a molecular weight of 141.10 g/mol, XLogP of 0.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 2762876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).