Basic information
- Standard SMILES
COc1nc(C)c(I)c(C)c1C#N- InChIKey
KQQZSIHWXLUEMQ-UHFFFAOYSA-N- Molecular formula
- C9H9IN2O
- Average molar mass
- 288.08 g/mol
Names & identifiers
- Preferred name
- 5-Iodo-2-methoxy-4,6-dimethylpyridine-3-carbonitrile
- IUPAC
- 5-iodo-2-methoxy-4,6-dimethylpyridine-3-carbonitrile
Names & synonyms
858120-02-25-iodo-2-methoxy-4,6-dimethylpyridine-3-carbonitrile5-Iodo-2-methoxy-4,6-dimethylnicotinonitrileMFCD205263285-iodo-2-methoxy-4,6-dimethyl-nicotinonitrileSCHEMBL4075864KQQZSIHWXLUEMQ-UHFFFAOYSA-NAKOS015991226AE-0723CS-04562955-iodo-2-methoxy-4,6-dimethyl-pyridine-3-carbonitrile
Database identifiers
- PubChem CID
- 56777511
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 45.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 225
Related reactions
4 records
Compound notes
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