Molecular properties
- Formula
- C9H8ClN
- Molar mass
- 165.62 g·mol−1
- Exact mass
- 165.0345 Da
- 6
- PubChem CID
- 21989390
Molecule record
2-chloro-1H-isoquinoline
C9H8ClN
165.62 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Alkene
Aromatic ring
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 2-chloro-isoquinoline
- 2-chloroisoquinoline
- SCHEMBL143063
- ZHLNTXOGUBNHKB-UHFFFAOYSA-N
Structure identifiers
- Canonical SMILES
- ClN1C=Cc2ccccc2C1
- Isomeric SMILES
- C1C2=CC=CC=C2C=CN1Cl
- InChI
- InChI=1S/C9H8ClN/c10-11-6-5-8-3-1-2-4-9(8)7-11/h1-6H,7H2
- InChIKey
- ZHLNTXOGUBNHKB-UHFFFAOYSA-N
- PubChem CID
- 21989390
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 2-chloro-1H-isoquinoline; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 2-chloro-1H-isoquinoline; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.