1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

C13H10FNO3 — CID 16896681

IUPAC1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C13H10FNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKeyFXGQVTGVJNJRQF-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.73
Rot. Bonds3

About 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid

1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (PubChem CID 16896681) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
PubChem CID16896681
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(=O)n(Cc2ccccc2F)c1
InChIInChI=1S/C13H10FNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18)
InChIKeyFXGQVTGVJNJRQF-UHFFFAOYSA-N
XLogP1.73
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid (CID 16896681) is 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is O=C(O)c1ccc(=O)n(Cc2ccccc2F)c1.
What is the InChIKey of 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
The InChIKey is FXGQVTGVJNJRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-4-2-1-3-9(11)7-15-8-10(13(17)18)5-6-12(15)16/h1-6,8H,7H2,(H,17,18).
What are the key properties of 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid?
1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid has a molecular weight of 247.23 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)methyl]-6-oxopyridine-3-carboxylic acid is sourced from PubChem (CID 16896681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).