Basic information
- CAS
1393557-07-7- Standard SMILES
Cc1cc(CCl)cc(C#N)n1- InChIKey
SRYWBGYEUBJROJ-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2
- Average molar mass
- 166.61 g/mol
- Monoisotopic mass
- 166.0297759
Names & identifiers
- Preferred name
- 4-(Chloromethyl)-6-methylpyridine-2-carbonitrile
- IUPAC
- 4-(chloromethyl)-6-methylpyridine-2-carbonitrile
Names & synonyms
1393557-07-74-(CHLOROMETHYL)-6-METHYLPYRIDINE-2-CARBONITRILE4-(Chloromethyl)-6-methylpicolinonitrileDTXSID701229836AB787742-Pyridinecarbonitrile, 4-(chloromethyl)-6-methyl-
Database identifiers
- CAS
1393557-07-7- PubChem CID
- 72215331
- DTXSID
DTXSID701229836
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 36.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…