Basic information
- Standard SMILES
O=C(Oc1c(F)c(F)c(F)c(F)c1F)c1[nH]c2ccccc2c1Nc1ccncc1- InChIKey
AETKQAJQFJIMNR-UHFFFAOYSA-N- Molecular formula
- C20H10F5N3O2
- Average molar mass
- 419.3 g/mol
Names & identifiers
- Preferred name
- 3-(Pyridin-4-ylamino)-1H-indole-2-carboxylic Acid Pentafluorophenyl Ester
- IUPAC
- (2,3,4,5,6-pentafluorophenyl) 3-(pyridin-4-ylamino)-1H-indole-2-carboxylate
Names & synonyms
SCHEMBL4334975AETKQAJQFJIMNR-UHFFFAOYSA-N3-(Pyridin-4-ylamino)-1H-indole-2-carboxylic Acid Pentafluorophenyl Ester
Database identifiers
- PubChem CID
- 9979461
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 67 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 595
Related reactions
3 records
Compound notes
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