3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid

C13H10FNO3 — CID 22923850

IUPAC3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OC(F)c1ccccc1
InChIInChI=1S/C13H10FNO3/c14-12(9-5-2-1-3-6-9)18-10-7-4-8-15-11(10)13(16)17/h1-8,12H,(H,16,17)
InChIKeyUTPMNHDITSFOJD-UHFFFAOYSA-N
MW247.23 g/mol
LogP2.83
Rot. Bonds4

About 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid

3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid (PubChem CID 22923850) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid
PubChem CID22923850
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1ncccc1OC(F)c1ccccc1
InChIInChI=1S/C13H10FNO3/c14-12(9-5-2-1-3-6-9)18-10-7-4-8-15-11(10)13(16)17/h1-8,12H,(H,16,17)
InChIKeyUTPMNHDITSFOJD-UHFFFAOYSA-N
XLogP2.83
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid?
The IUPAC name of 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid (CID 22923850) is 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid is O=C(O)c1ncccc1OC(F)c1ccccc1.
What is the InChIKey of 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid?
The InChIKey is UTPMNHDITSFOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-12(9-5-2-1-3-6-9)18-10-7-4-8-15-11(10)13(16)17/h1-8,12H,(H,16,17).
What are the key properties of 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid?
3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[fluoro(phenyl)methoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 22923850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).