7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid

C10H7NO4 — CID 24896934

IUPAC7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid
SMILESO=C(O)c1cc(O)cc2c(=O)[nH]ccc12
InChIInChI=1S/C10H7NO4/c12-5-3-7-6(1-2-11-9(7)13)8(4-5)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
InChIKeyQBJOVHFWFSCZCX-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.93
Rot. Bonds1

About 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid

7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid (PubChem CID 24896934) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid.

Molecular Properties

Compound Name7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid
PubChem CID24896934
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid
SMILESO=C(O)c1cc(O)cc2c(=O)[nH]ccc12
InChIInChI=1S/C10H7NO4/c12-5-3-7-6(1-2-11-9(7)13)8(4-5)10(14)15/h1-4,12H,(H,11,13)(H,14,15)
InChIKeyQBJOVHFWFSCZCX-UHFFFAOYSA-N
XLogP0.93
TPSA90.39 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid?
The IUPAC name of 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid (CID 24896934) is 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid.
What is the SMILES notation for 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid?
The canonical SMILES for 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid is O=C(O)c1cc(O)cc2c(=O)[nH]ccc12.
What is the InChIKey of 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid?
The InChIKey is QBJOVHFWFSCZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-5-3-7-6(1-2-11-9(7)13)8(4-5)10(14)15/h1-4,12H,(H,11,13)(H,14,15).
What are the key properties of 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid?
7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid has a molecular weight of 205.17 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-1-oxo-2H-isoquinoline-5-carboxylic acid is sourced from PubChem (CID 24896934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).