6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid

C13H8FNO4 — CID 174334037

IUPAC6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Oc2ccccc2F)nc1
InChIInChI=1S/C13H8FNO4/c14-9-3-1-2-4-11(9)19-13(18)10-6-5-8(7-15-10)12(16)17/h1-7H,(H,16,17)
InChIKeyRICQXJAGADVKJL-UHFFFAOYSA-N
MW261.21 g/mol
LogP2.14
Rot. Bonds3

About 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid

6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid (PubChem CID 174334037) has the molecular formula C13H8FNO4 and a molecular weight of 261.21 g/mol. Its IUPAC name is 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid
PubChem CID174334037
Molecular FormulaC13H8FNO4
Molecular Weight261.21 g/mol
Exact Mass261.04
IUPAC Name6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Oc2ccccc2F)nc1
InChIInChI=1S/C13H8FNO4/c14-9-3-1-2-4-11(9)19-13(18)10-6-5-8(7-15-10)12(16)17/h1-7H,(H,16,17)
InChIKeyRICQXJAGADVKJL-UHFFFAOYSA-N
XLogP2.14
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid?
The IUPAC name of 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid (CID 174334037) is 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid?
The canonical SMILES for 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)Oc2ccccc2F)nc1.
What is the InChIKey of 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid?
The InChIKey is RICQXJAGADVKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO4/c14-9-3-1-2-4-11(9)19-13(18)10-6-5-8(7-15-10)12(16)17/h1-7H,(H,16,17).
What are the key properties of 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid?
6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid has a molecular weight of 261.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenoxy)carbonylpyridine-3-carboxylic acid is sourced from PubChem (CID 174334037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).