Basic information
- Standard SMILES
NC1CCCC(Nc2cc(I)cc(Cl)n2)C1- InChIKey
YACQCOLSZXKOJU-UHFFFAOYSA-N- Molecular formula
- C11H15ClIN3
- Average molar mass
- 351.61 g/mol
Names & identifiers
- Preferred name
- N1-(6-chloro-4-iodopyridin-2-yl)cyclohexane-1,3-diamine
- IUPAC
- 1-N-(6-chloro-4-iodo-2-pyridinyl)cyclohexane-1,3-diamine
Names & synonyms
SCHEMBL1050888YACQCOLSZXKOJU-UHFFFAOYSA-NN1-(6-chloro-4-iodopyridin-2-yl)cyclohexane-1,3-diamine
Database identifiers
- PubChem CID
- 86649873
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 229
Related reactions
6 records
Compound notes
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