2-(6-hydroxyisoquinolin-4-yl)acetic acid

C11H9NO3 — CID 135768199

IUPAC2-(6-hydroxyisoquinolin-4-yl)acetic acid
SMILESO=C(O)Cc1cncc2ccc(O)cc12
InChIInChI=1S/C11H9NO3/c13-9-2-1-7-5-12-6-8(3-11(14)15)10(7)4-9/h1-2,4-6,13H,3H2,(H,14,15)
InChIKeyXUUUQXUWLQTLMU-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.57
Rot. Bonds2

About 2-(6-hydroxyisoquinolin-4-yl)acetic acid

2-(6-hydroxyisoquinolin-4-yl)acetic acid (PubChem CID 135768199) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(6-hydroxyisoquinolin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-hydroxyisoquinolin-4-yl)acetic acid
PubChem CID135768199
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(6-hydroxyisoquinolin-4-yl)acetic acid
SMILESO=C(O)Cc1cncc2ccc(O)cc12
InChIInChI=1S/C11H9NO3/c13-9-2-1-7-5-12-6-8(3-11(14)15)10(7)4-9/h1-2,4-6,13H,3H2,(H,14,15)
InChIKeyXUUUQXUWLQTLMU-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-(6-hydroxyisoquinolin-4-yl)acetic acid?
The IUPAC name of 2-(6-hydroxyisoquinolin-4-yl)acetic acid (CID 135768199) is 2-(6-hydroxyisoquinolin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-hydroxyisoquinolin-4-yl)acetic acid?
The canonical SMILES for 2-(6-hydroxyisoquinolin-4-yl)acetic acid is O=C(O)Cc1cncc2ccc(O)cc12.
What is the InChIKey of 2-(6-hydroxyisoquinolin-4-yl)acetic acid?
The InChIKey is XUUUQXUWLQTLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-2-1-7-5-12-6-8(3-11(14)15)10(7)4-9/h1-2,4-6,13H,3H2,(H,14,15).
What are the key properties of 2-(6-hydroxyisoquinolin-4-yl)acetic acid?
2-(6-hydroxyisoquinolin-4-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-(6-hydroxyisoquinolin-4-yl)acetic acid is sourced from PubChem (CID 135768199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).