3-hydroxy-1H-isoquinoline-2-carbaldehyde

C10H9NO2 — CID 151831457

IUPAC3-hydroxy-1H-isoquinoline-2-carbaldehyde
SMILESO=CN1Cc2ccccc2C=C1O
InChIInChI=1S/C10H9NO2/c12-7-11-6-9-4-2-1-3-8(9)5-10(11)13/h1-5,7,13H,6H2
InChIKeySETBOBMUDHNGKK-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.51
Rot. Bonds1

About 3-hydroxy-1H-isoquinoline-2-carbaldehyde

3-hydroxy-1H-isoquinoline-2-carbaldehyde (PubChem CID 151831457) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 3-hydroxy-1H-isoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name3-hydroxy-1H-isoquinoline-2-carbaldehyde
PubChem CID151831457
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name3-hydroxy-1H-isoquinoline-2-carbaldehyde
SMILESO=CN1Cc2ccccc2C=C1O
InChIInChI=1S/C10H9NO2/c12-7-11-6-9-4-2-1-3-8(9)5-10(11)13/h1-5,7,13H,6H2
InChIKeySETBOBMUDHNGKK-UHFFFAOYSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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1-formyl-2H-quinoline-3-carbohydrazide
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3,4-dihydronaphthalene-2-carbaldehyde;hydron
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N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide
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3-[2,2-dimethyl-4-[4-(1-methylpyrazole-4-carbonyl)piperidin-1-yl]-4-oxobutyl]-1H-isoquinoline-2-carbaldehyde
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N-(1H-inden-2-yl)formamide
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2-oxo-5,6-dihydro-3H-benzo[h][1,4]benzoxazine-4-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1H-isoquinoline-2-carbaldehyde?
The IUPAC name of 3-hydroxy-1H-isoquinoline-2-carbaldehyde (CID 151831457) is 3-hydroxy-1H-isoquinoline-2-carbaldehyde.
What is the SMILES notation for 3-hydroxy-1H-isoquinoline-2-carbaldehyde?
The canonical SMILES for 3-hydroxy-1H-isoquinoline-2-carbaldehyde is O=CN1Cc2ccccc2C=C1O.
What is the InChIKey of 3-hydroxy-1H-isoquinoline-2-carbaldehyde?
The InChIKey is SETBOBMUDHNGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c12-7-11-6-9-4-2-1-3-8(9)5-10(11)13/h1-5,7,13H,6H2.
What are the key properties of 3-hydroxy-1H-isoquinoline-2-carbaldehyde?
3-hydroxy-1H-isoquinoline-2-carbaldehyde has a molecular weight of 175.19 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1H-isoquinoline-2-carbaldehyde is sourced from PubChem (CID 151831457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).