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

C13H10FNO3 — CID 63292697

IUPAC5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1Cn1ccccc1=O
InChIInChI=1S/C13H10FNO3/c14-10-5-4-9(11(7-10)13(17)18)8-15-6-2-1-3-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyFWTVZUAAZNZLLQ-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.73
Rot. Bonds3

About 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid

5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid (PubChem CID 63292697) has the molecular formula C13H10FNO3 and a molecular weight of 247.23 g/mol. Its IUPAC name is 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
PubChem CID63292697
Molecular FormulaC13H10FNO3
Molecular Weight247.23 g/mol
Exact Mass247.06
IUPAC Name5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
SMILESO=C(O)c1cc(F)ccc1Cn1ccccc1=O
InChIInChI=1S/C13H10FNO3/c14-10-5-4-9(11(7-10)13(17)18)8-15-6-2-1-3-12(15)16/h1-7H,8H2,(H,17,18)
InChIKeyFWTVZUAAZNZLLQ-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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Related Compounds

2-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 43470471
5-fluoro-2-[(6-oxopyrimidin-1-yl)methyl]benzoic acid
CID 55237238
2-(1,3-dihydroisoindol-2-ylmethyl)-5-fluorobenzoic acid
CID 63289404
4-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzenecarbothioamide
CID 64765428
3-methyl-4-[(2-oxo-1-pyridinyl)methyl]benzoic acid
CID 114485600
4-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzonitrile
CID 103759921
1-[[2,5-difluoro-4-(hydroxymethyl)phenyl]methyl]pyridin-2-one
CID 118212736
1-[(2-fluorophenyl)methyl]pyridin-2-one
CID 664770
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-5-fluorobenzoic acid
CID 113336310
5-fluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)benzoic acid
CID 66369866
5-fluoro-2-(1,2,4-triazol-1-ylmethyl)benzoic acid
CID 63292739
methyl 2-[2,3-difluoro-4-[(2-oxo-1-pyridinyl)methyl]phenyl]acetate
CID 177191263

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The IUPAC name of 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid (CID 63292697) is 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid.
What is the SMILES notation for 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The canonical SMILES for 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid is O=C(O)c1cc(F)ccc1Cn1ccccc1=O.
What is the InChIKey of 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
The InChIKey is FWTVZUAAZNZLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO3/c14-10-5-4-9(11(7-10)13(17)18)8-15-6-2-1-3-12(15)16/h1-7H,8H2,(H,17,18).
What are the key properties of 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid?
5-fluoro-2-[(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 5-fluoro-2-[(2-oxo-1-pyridinyl)methyl]benzoic acid is sourced from PubChem (CID 63292697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).