Basic information
- Standard SMILES
NC1CCC(Nc2cc(-c3cccc(F)n3)c(Cl)cn2)CC1- InChIKey
XVMRLXKUTDCVTD-UHFFFAOYSA-N- Molecular formula
- C16H18ClFN4
- Average molar mass
- 320.79 g/mol
Names & identifiers
- Preferred name
- trans-N1-(5'-chloro-6-fluoro-2,4'-bipyridin-2'-yl)cyclohexane-1,4-diamine
- IUPAC
- 4-N-[5-chloro-4-(6-fluoro-2-pyridinyl)-2-pyridinyl]cyclohexane-1,4-diamine
Names & synonyms
SCHEMBL1192141XVMRLXKUTDCVTD-XYPYZODXSA-Ntrans-N1-(5'-chloro-6-fluoro-2,4'-bipyridin-2'-yl)cyclohexane-1,4-diamine
Database identifiers
- PubChem CID
- 66936997
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 351
Related reactions
2 records
Compound notes
Loading…