1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid

C10H7NO4 — CID 91261818

IUPAC1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(O)[nH]c(=O)cc2c1
InChIInChI=1S/C10H7NO4/c12-8-4-6-3-5(10(14)15)1-2-7(6)9(13)11-8/h1-4H,(H,14,15)(H2,11,12,13)
InChIKeyLMGKXPAGRHKBTK-UHFFFAOYSA-N
MW205.17 g/mol
LogP0.93
Rot. Bonds1

About 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid

1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid (PubChem CID 91261818) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid
PubChem CID91261818
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid
SMILESO=C(O)c1ccc2c(O)[nH]c(=O)cc2c1
InChIInChI=1S/C10H7NO4/c12-8-4-6-3-5(10(14)15)1-2-7(6)9(13)11-8/h1-4H,(H,14,15)(H2,11,12,13)
InChIKeyLMGKXPAGRHKBTK-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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Related Compounds

Citrazinic Acid
CID 7425
6-Hydroxy-2-oxo(~13~C_5_)-1,2-dihydropyridine-4-(~13~C)carboxylic acid
CID 71309692
2,6-Dihydroxynicotinic acid
CID 135526603
2,6-Dihydroxynicotinate
CID 135853911
1,5-dihydroxy-2H-isoquinolin-3-one
CID 54048310
2-hydroxy-3-methyl-6-oxo-1H-pyridine-4-carboxylic acid
CID 59676323
2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid;hydrate
CID 70540764
3-[3-(4-carboxy-2-hydroxy-6-oxo-1H-pyridin-3-yl)propa-1,2-dienyl]-2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 90821121
3-Hydroxyisoquinoline-7-carboxylic acid
CID 129978841
ethane;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 143103214
sodium;hydride;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 173410645
hafnium;2-hydroxy-6-oxo-1H-pyridine-4-carboxylic acid
CID 174951888

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid?
The IUPAC name of 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid (CID 91261818) is 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid.
What is the SMILES notation for 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid?
The canonical SMILES for 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid is O=C(O)c1ccc2c(O)[nH]c(=O)cc2c1.
What is the InChIKey of 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid?
The InChIKey is LMGKXPAGRHKBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO4/c12-8-4-6-3-5(10(14)15)1-2-7(6)9(13)11-8/h1-4H,(H,14,15)(H2,11,12,13).
What are the key properties of 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid?
1-hydroxy-3-oxo-2H-isoquinoline-6-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 1-hydroxy-3-oxo-2H-isoquinoline-6-carboxylic acid is sourced from PubChem (CID 91261818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).