3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid

C11H8FNO2 — CID 103341535

IUPAC3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C11H8FNO2/c12-9-5-7(10-2-1-3-13-10)4-8(6-9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyATAYPIRMZMSTSO-UHFFFAOYSA-N
MW205.19 g/mol
LogP2.52
Rot. Bonds2

About 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid

3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid (PubChem CID 103341535) has the molecular formula C11H8FNO2 and a molecular weight of 205.19 g/mol. Its IUPAC name is 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid
PubChem CID103341535
Molecular FormulaC11H8FNO2
Molecular Weight205.19 g/mol
Exact Mass205.05
IUPAC Name3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid
SMILESO=C(O)c1cc(F)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C11H8FNO2/c12-9-5-7(10-2-1-3-13-10)4-8(6-9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyATAYPIRMZMSTSO-UHFFFAOYSA-N
XLogP2.52
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.19
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid?
The IUPAC name of 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid (CID 103341535) is 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid.
What is the SMILES notation for 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid?
The canonical SMILES for 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid is O=C(O)c1cc(F)cc(-c2ccc[nH]2)c1.
What is the InChIKey of 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid?
The InChIKey is ATAYPIRMZMSTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2/c12-9-5-7(10-2-1-3-13-10)4-8(6-9)11(14)15/h1-6,13H,(H,14,15).
What are the key properties of 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid?
3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid has a molecular weight of 205.19 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-(1H-pyrrol-2-yl)benzoic acid is sourced from PubChem (CID 103341535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).