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

C10H7NO3 — CID 22923892

IUPAC3-oxo-2H-isoquinoline-1-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc2ccccc12
InChIInChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)9(11-8)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKeyNZUCOWCAFFJYSR-UHFFFAOYSA-N
MW189.17 g/mol
LogP1.23
Rot. Bonds1

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

3-oxo-2H-isoquinoline-1-carboxylic acid (PubChem CID 22923892) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-oxo-2H-isoquinoline-1-carboxylic acid.

Molecular Properties

Compound Name3-oxo-2H-isoquinoline-1-carboxylic acid
PubChem CID22923892
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name3-oxo-2H-isoquinoline-1-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc2ccccc12
InChIInChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)9(11-8)10(13)14/h1-5H,(H,11,12)(H,13,14)
InChIKeyNZUCOWCAFFJYSR-UHFFFAOYSA-N
XLogP1.23
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-oxo-2H-isoquinoline-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Hydroxy-4-methylpyridine-2-carboxylic acid
CID 820395
6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84722345
4-(Difluoromethyl)-6-hydroxy-3-(trifluoromethyl)picolinic acid
CID 118800394
4-(Difluoromethyl)-3-fluoro-6-hydroxypicolinic acid
CID 118823284
4-(Difluoromethyl)-6-hydroxy-3-methylpicolinic acid
CID 118851101
3-(difluoromethyl)-4-fluoro-6-oxo-1H-pyridine-2-carboxylic acid
CID 130079660
3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 130097192
3-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 133102368
3-amino-4-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 348132
6-Hydroxy-3-methylpicolinic acid
CID 14133207
2,3-Dihydroisoquinoline-1-carboxylic acid
CID 60139256
4-tert-butyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 83637355

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2H-isoquinoline-1-carboxylic acid?
The IUPAC name of 3-oxo-2H-isoquinoline-1-carboxylic acid (CID 22923892) is 3-oxo-2H-isoquinoline-1-carboxylic acid.
What is the SMILES notation for 3-oxo-2H-isoquinoline-1-carboxylic acid?
The canonical SMILES for 3-oxo-2H-isoquinoline-1-carboxylic acid is O=C(O)c1[nH]c(=O)cc2ccccc12.
What is the InChIKey of 3-oxo-2H-isoquinoline-1-carboxylic acid?
The InChIKey is NZUCOWCAFFJYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)9(11-8)10(13)14/h1-5H,(H,11,12)(H,13,14).
What are the key properties of 3-oxo-2H-isoquinoline-1-carboxylic acid?
3-oxo-2H-isoquinoline-1-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2H-isoquinoline-1-carboxylic acid is sourced from PubChem (CID 22923892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).