{6-Cyano-3-[2,2-difluoro-2-(5-methyl-pyridin-2-yl)-ethylamino]-2-fluoro-phenyl}-acetic acid
Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
Cc1ccc(C(F)(F)CNc2ccc(C#N)c(CC(=O)O)c2F)nc1- InChIKey
BIQQQCFYGYALOZ-UHFFFAOYSA-N- Molecular formula
- C17H14F3N3O2
- Average molar mass
- 349.31 g/mol
Names & identifiers
- Preferred name
- {6-Cyano-3-[2,2-difluoro-2-(5-methyl-pyridin-2-yl)-ethylamino]-2-fluoro-phenyl}-acetic acid
- IUPAC
- 2-[6-cyano-3-[[2,2-difluoro-2-(5-methyl-2-pyridinyl)ethyl]amino]-2-fluorophenyl]acetic acid
Names & synonyms
{6-cyano-3-[2,2-difluoro-2-(5-methyl-pyridin-2-yl)-ethylamino]-2-fluoro-phenyl}-acetic acidSCHEMBL3890309
Database identifiers
- PubChem CID
- 68828124
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 523
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…