Basic information
- Standard SMILES
Cc1c(I)ccc(N)c1C#N- InChIKey
AMDSTKMVXKCMGU-UHFFFAOYSA-N- Molecular formula
- C8H7IN2
- Average molar mass
- 258.06 g/mol
Names & identifiers
- Preferred name
- 6-Amino-3-iodo-2-methylbenzonitrile
- IUPAC
- 6-amino-3-iodo-2-methylbenzonitrile
Names & synonyms
6-AMINO-3-IODO-2-METHYLBENZONITRILE159020-54-9SCHEMBL8388503AMDSTKMVXKCMGU-UHFFFAOYSA-N2-amino-5-iodo-6-methylbenzonitrileMFCD155272346-Amino-3-iodo-2-methyl-benzonitrile
Database identifiers
- PubChem CID
- 53418592
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 184
Related reactions
4 records
Compound notes
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