1-Chloroisoquinoline-5-carbaldehyde

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Basic information

Standard SMILES: O=Cc1cccc2c(Cl)nccc12
InChIKey: ZBHGEXPKAZNZJI-UHFFFAOYSA-N
Molecular formula: C10H6ClNO
Average molar mass: 191.61 g/mol
Monoisotopic mass: 191.0137915

Names & identifiers

Preferred name: 1-Chloroisoquinoline-5-carbaldehyde
IUPAC: 1-chloroisoquinoline-5-carbaldehyde

Names & synonyms

1-CHLOROISOQUINOLINE-5-CARBALDEHYDE223671-52-1SCHEMBL6993163ZBHGEXPKAZNZJI-UHFFFAOYSA-N1-chloro-5-isoquinolinecarboxaldehydeAT53081DA-19255CS-0350204EN300-3037255

Database identifiers

PubChem CID: 21192467

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 30 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 197

Related reactions

4 records

New reaction record

HRID 198528As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1067235As productuspto-grants-2001_06

HRID 1067236As reactantuspto-grants-2001_06

HRID 1550888As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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