2-Hydroxy-2-(isoquinolin-5-yl)acetic acid

HCID 22337697

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: O=C(O)C(O)c1cccc2cnccc12
InChIKey: YTTXIRIVIIVEPC-UHFFFAOYSA-N
Molecular formula: C11H9NO3
Average molar mass: 203.19 g/mol

Names & identifiers

Preferred name: 2-Hydroxy-2-(isoquinolin-5-yl)acetic acid
IUPAC: 2-hydroxy-2-isoquinolin-5-ylacetic acid

Names & synonyms

2-Hydroxy-2-(isoquinolin-5-yl)acetic acid773052-45-2hydroxy(5-isoquinolinyl)acetic acidSCHEMBL4024176YTTXIRIVIIVEPC-UHFFFAOYSA-NAKOS0152886192-hydroxy-2-(5-isoquinolyl)acetic acidDB-087937CS-0344879EN300-1830367

Database identifiers

PubChem CID: 22337697

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 70.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 244

Related reactions

5 records

New reaction record

HRID 586048As reactantuspto-grants-2005_08

HRID 887316As reactantuspto-grants-2012_08

HRID 1127484As reactantTraining data from https://doi.org/10.1039/C8SC04228D (7/10)

HRID 1556628As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

HRID 2056936As reactantuspto-grants-2008_02

Compound notes

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