Basic information
- Standard SMILES
CC(C)Nc1cc(Cl)ncc1C=O- InChIKey
MJFZDRIOIJLJRF-UHFFFAOYSA-N- Molecular formula
- C9H11ClN2O
- Average molar mass
- 198.65 g/mol
Names & identifiers
- Preferred name
- 6-Chloro-4-(isopropylamino)nicotinaldehyde
- IUPAC
- 6-chloro-4-(propan-2-ylamino)pyridine-3-carbaldehyde
Names & synonyms
6-chloro-4-(isopropylamino)nicotinaldehydeSCHEMBL4281076SCHEMBL29847647MJFZDRIOIJLJRF-UHFFFAOYSA-NDA-36292
Database identifiers
- PubChem CID
- 86620169
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 175
Related reactions
4 records
Compound notes
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