2-(8-hydroxyquinolin-5-yl)acetic acid

C11H9NO3 — CID 6481997

IUPAC2-(8-hydroxyquinolin-5-yl)acetic acid
SMILESO=C(O)Cc1ccc(O)c2ncccc12
InChIInChI=1S/C11H9NO3/c13-9-4-3-7(6-10(14)15)8-2-1-5-12-11(8)9/h1-5,13H,6H2,(H,14,15)
InChIKeyCJSVAYGVUXBHLS-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.57
Rot. Bonds2

About 2-(8-hydroxyquinolin-5-yl)acetic acid

2-(8-hydroxyquinolin-5-yl)acetic acid (PubChem CID 6481997) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(8-hydroxyquinolin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(8-hydroxyquinolin-5-yl)acetic acid
PubChem CID6481997
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(8-hydroxyquinolin-5-yl)acetic acid
SMILESO=C(O)Cc1ccc(O)c2ncccc12
InChIInChI=1S/C11H9NO3/c13-9-4-3-7(6-10(14)15)8-2-1-5-12-11(8)9/h1-5,13H,6H2,(H,14,15)
InChIKeyCJSVAYGVUXBHLS-UHFFFAOYSA-N
XLogP1.57
TPSA70.42 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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-hydroxyquinolin-5-yl)acetic acid?
The IUPAC name of 2-(8-hydroxyquinolin-5-yl)acetic acid (CID 6481997) is 2-(8-hydroxyquinolin-5-yl)acetic acid.
What is the SMILES notation for 2-(8-hydroxyquinolin-5-yl)acetic acid?
The canonical SMILES for 2-(8-hydroxyquinolin-5-yl)acetic acid is O=C(O)Cc1ccc(O)c2ncccc12.
What is the InChIKey of 2-(8-hydroxyquinolin-5-yl)acetic acid?
The InChIKey is CJSVAYGVUXBHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-4-3-7(6-10(14)15)8-2-1-5-12-11(8)9/h1-5,13H,6H2,(H,14,15).
What are the key properties of 2-(8-hydroxyquinolin-5-yl)acetic acid?
2-(8-hydroxyquinolin-5-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-hydroxyquinolin-5-yl)acetic acid is sourced from PubChem (CID 6481997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).