2-hydroxy-1-oxoisoquinoline-3-carboxylic acid

C10H7NO4 — CID 12765501

IUPAC2-hydroxy-1-oxoisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(=O)n1O
InChIInChI=1S/C10H7NO4/c12-9-7-4-2-1-3-6(7)5-8(10(13)14)11(9)15/h1-5,15H,(H,13,14)
InChIKeyNVWCQTKDZHGZME-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.94
Rot. Bonds1

About 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid

2-hydroxy-1-oxoisoquinoline-3-carboxylic acid (PubChem CID 12765501) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name2-hydroxy-1-oxoisoquinoline-3-carboxylic acid
PubChem CID12765501
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name2-hydroxy-1-oxoisoquinoline-3-carboxylic acid
SMILESO=C(O)c1cc2ccccc2c(=O)n1O
InChIInChI=1S/C10H7NO4/c12-9-7-4-2-1-3-6(7)5-8(10(13)14)11(9)15/h1-5,15H,(H,13,14)
InChIKeyNVWCQTKDZHGZME-UHFFFAOYSA-N
XLogP0.94
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid?
The IUPAC name of 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid (CID 12765501) is 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid.
What is the SMILES notation for 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid?
The canonical SMILES for 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid is O=C(O)c1cc2ccccc2c(=O)n1O.
What is the InChIKey of 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid?
The InChIKey is NVWCQTKDZHGZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-9-7-4-2-1-3-6(7)5-8(10(13)14)11(9)15/h1-5,15H,(H,13,14).
What are the key properties of 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid?
2-hydroxy-1-oxoisoquinoline-3-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-oxoisoquinoline-3-carboxylic acid is sourced from PubChem (CID 12765501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).