3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid

C13H10FNO3 — CID 63074770

IUPAC3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2ccccc2=O)c(F)c1
InChIInChI=1S/C13H10FNO3/c14-11-7-9(13(17)18)4-5-10(11)8-15-6-2-1-3-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyILZBLOQAWJNIRW-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.73
Rot. Bonds3

About 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid

3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid (PubChem CID 63074770) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
PubChem CID63074770
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1ccc(Cn2ccccc2=O)c(F)c1
InChIInChI=1S/C13H10FNO3/c14-11-7-9(13(17)18)4-5-10(11)8-15-6-2-1-3-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyILZBLOQAWJNIRW-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 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The IUPAC name of 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid (CID 63074770) is 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid is O=C(O)c1ccc(Cn2ccccc2=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The InChIKey is ILZBLOQAWJNIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-11-7-9(13(17)18)4-5-10(11)8-15-6-2-1-3-12(15)16/h1-7H,8H2,(H,17,18).
What are the key properties of 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic 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 3-fluoro-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 63074770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).