3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid

C9H8FNO3 — CID 105379985

IUPAC3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid
SMILESC=CCOc1nccc(C(=O)O)c1F
InChIInChI=1S/C9H8FNO3/c1-2-5-14-8-7(10)6(9(12)13)3-4-11-8/h2-4H,1,5H2,(H,12,13)
InChIKeyCJOCGFZOISNMAP-UHFFFAOYSA-N
MW197.16 g/mol
LogP1.48
Rot. Bonds4

About 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid

3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid (PubChem CID 105379985) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid
PubChem CID105379985
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid
SMILESC=CCOc1nccc(C(=O)O)c1F
InChIInChI=1S/C9H8FNO3/c1-2-5-14-8-7(10)6(9(12)13)3-4-11-8/h2-4H,1,5H2,(H,12,13)
InChIKeyCJOCGFZOISNMAP-UHFFFAOYSA-N
XLogP1.48
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid?
The IUPAC name of 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid (CID 105379985) is 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid.
What is the SMILES notation for 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid?
The canonical SMILES for 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid is C=CCOc1nccc(C(=O)O)c1F.
What is the InChIKey of 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid?
The InChIKey is CJOCGFZOISNMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c1-2-5-14-8-7(10)6(9(12)13)3-4-11-8/h2-4H,1,5H2,(H,12,13).
What are the key properties of 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid?
3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid has a molecular weight of 197.16 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-prop-2-enoxypyridine-4-carboxylic acid is sourced from PubChem (CID 105379985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).