2-hydroxy-5-pyrrol-1-ylbenzoic acid

C11H9NO3 — CID 853752

IUPAC2-hydroxy-5-pyrrol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C11H9NO3/c13-10-4-3-8(7-9(10)11(14)15)12-5-1-2-6-12/h1-7,13H,(H,14,15)
InChIKeyRJOWHWZRBQBAMZ-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.88
Rot. Bonds2

About 2-hydroxy-5-pyrrol-1-ylbenzoic acid

2-hydroxy-5-pyrrol-1-ylbenzoic acid (PubChem CID 853752) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-hydroxy-5-pyrrol-1-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-pyrrol-1-ylbenzoic acid
PubChem CID853752
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-hydroxy-5-pyrrol-1-ylbenzoic acid
SMILESO=C(O)c1cc(-n2cccc2)ccc1O
InChIInChI=1S/C11H9NO3/c13-10-4-3-8(7-9(10)11(14)15)12-5-1-2-6-12/h1-7,13H,(H,14,15)
InChIKeyRJOWHWZRBQBAMZ-UHFFFAOYSA-N
XLogP1.88
TPSA62.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-pyrrol-1-ylbenzoic acid?
The IUPAC name of 2-hydroxy-5-pyrrol-1-ylbenzoic acid (CID 853752) is 2-hydroxy-5-pyrrol-1-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-5-pyrrol-1-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-5-pyrrol-1-ylbenzoic acid is O=C(O)c1cc(-n2cccc2)ccc1O.
What is the InChIKey of 2-hydroxy-5-pyrrol-1-ylbenzoic acid?
The InChIKey is RJOWHWZRBQBAMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10-4-3-8(7-9(10)11(14)15)12-5-1-2-6-12/h1-7,13H,(H,14,15).
What are the key properties of 2-hydroxy-5-pyrrol-1-ylbenzoic acid?
2-hydroxy-5-pyrrol-1-ylbenzoic acid has a molecular weight of 203.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-pyrrol-1-ylbenzoic acid is sourced from PubChem (CID 853752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).