3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid

C10H7FN2O3 — CID 103124477

IUPAC3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-n1cc[nH]c1=O
InChIInChI=1S/C10H7FN2O3/c11-7-3-1-2-6(9(14)15)8(7)13-5-4-12-10(13)16/h1-5H,(H,12,16)(H,14,15)
InChIKeyAEQDZBVOYHHBCC-UHFFFAOYSA-N
MW222.18 g/mol
LogP1.00
Rot. Bonds2

About 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid

3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid (PubChem CID 103124477) has the molecular formula C10H7FN2O3 and a molecular weight of 222.18 g/mol. Its IUPAC name is 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid
PubChem CID103124477
Molecular FormulaC10H7FN2O3
Molecular Weight222.18 g/mol
Exact Mass222.04
IUPAC Name3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid
SMILESO=C(O)c1cccc(F)c1-n1cc[nH]c1=O
InChIInChI=1S/C10H7FN2O3/c11-7-3-1-2-6(9(14)15)8(7)13-5-4-12-10(13)16/h1-5H,(H,12,16)(H,14,15)
InChIKeyAEQDZBVOYHHBCC-UHFFFAOYSA-N
XLogP1.00
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-6-methylphenyl)-1H-imidazol-2-one
CID 103126058
3-(2-chloro-6-fluorophenyl)-1H-imidazol-2-one
CID 103126060
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
3-(2,4,6-trifluorophenyl)-1H-imidazol-2-one
CID 103125750
2-(2-ethylimidazol-1-yl)-3-fluorobenzoic acid
CID 62648635
2-(4,5-dimethylimidazol-1-yl)-3-fluorobenzoic acid
CID 62649127
2-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-3-fluorobenzoic acid
CID 114460177
1-(2-carboxy-6-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691543
2-(4-cyclopropylpiperazin-1-yl)-3-fluorobenzoic acid
CID 55101340
2-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzoic acid
CID 62649956
methyl 2-(2-oxo-1H-imidazol-3-yl)benzoate
CID 172992933
2-(1,3-dioxopyrrolo[3,4-c]pyridin-2-yl)-3-fluorobenzoic acid
CID 81498924

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid?
The IUPAC name of 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid (CID 103124477) is 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid?
The canonical SMILES for 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid is O=C(O)c1cccc(F)c1-n1cc[nH]c1=O.
What is the InChIKey of 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid?
The InChIKey is AEQDZBVOYHHBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O3/c11-7-3-1-2-6(9(14)15)8(7)13-5-4-12-10(13)16/h1-5H,(H,12,16)(H,14,15).
What are the key properties of 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid?
3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid has a molecular weight of 222.18 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-oxo-1H-imidazol-3-yl)benzoic acid is sourced from PubChem (CID 103124477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).