1-(Pyridin-2-ylmethyl)isoquinoline hydrochloride
Basic information
- CAS
7498-42-2- Standard SMILES
Cl.c1ccc(Cc2nccc3ccccc23)nc1- InChIKey
IBDQZQPNVZZXDV-UHFFFAOYSA-N- Molecular formula
- C15H13ClN2
- Average molar mass
- 256.73 g/mol
- Monoisotopic mass
- 256.0767261
Names & identifiers
- Preferred name
- 1-(Pyridin-2-ylmethyl)isoquinoline hydrochloride
- IUPAC
- 1-(pyridin-2-ylmethyl)isoquinoline;hydrochloride
Names & synonyms
7498-42-21-(PYRIDIN-2-YLMETHYL)ISOQUINOLINE HYDROCHLORIDEDTXSID60639714NSC407493NSC-4074931-[(Pyridin-2-yl)methyl]isoquinoline--hydrogen chloride (1/1)
Database identifiers
- CAS
7498-42-2- PubChem CID
- 24201263
- DTXSID
DTXSID60639714
Properties
Computed structural properties
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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