1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid

C10H9NO3 — CID 141151611

IUPAC1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2C(O)N1
InChIInChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-5,9,11-12H,(H,13,14)
InChIKeyCYSPQGLUBFGVCK-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.71
Rot. Bonds1

About 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid

1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid (PubChem CID 141151611) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid
PubChem CID141151611
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2C(O)N1
InChIInChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-5,9,11-12H,(H,13,14)
InChIKeyCYSPQGLUBFGVCK-UHFFFAOYSA-N
XLogP0.71
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid?
The IUPAC name of 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid (CID 141151611) is 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid.
What is the SMILES notation for 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid?
The canonical SMILES for 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid is O=C(O)C1=Cc2ccccc2C(O)N1.
What is the InChIKey of 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid?
The InChIKey is CYSPQGLUBFGVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-7-4-2-1-3-6(7)5-8(11-9)10(13)14/h1-5,9,11-12H,(H,13,14).
What are the key properties of 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid?
1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,2-dihydroisoquinoline-3-carboxylic acid is sourced from PubChem (CID 141151611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).