Basic information
- Standard SMILES
Nc1cc2c(Cl)cccc2cn1- InChIKey
ZWCXWZQONZVZJF-UHFFFAOYSA-N- Molecular formula
- C9H7ClN2
- Average molar mass
- 178.62 g/mol
Names & identifiers
- Preferred name
- 5-Chloroisoquinolin-3-amine
- IUPAC
- 5-chloroisoquinolin-3-amine
Names & synonyms
5-CHLOROISOQUINOLIN-3-AMINE1221974-27-13-Isoquinolinamine, 5-chloro-MFCD15526595SCHEMBL558996ZWCXWZQONZVZJF-UHFFFAOYSA-NAKOS027330404DS-12298CS-0187135
Database identifiers
- PubChem CID
- 53418481
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Experimental & physicochemical properties
Exact Mass178.0297759 Da
Molecular Weight178.62 g/mol
Monoisotopic Mass178.0297759 Da
Compound Is CanonicalizedYes
Related reactions
1 records
Compound notes
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