Basic information
- Standard SMILES
O=C(c1cccc(-c2cnc3[nH]cc(I)c3c2)c1)N1CCOCC1- InChIKey
SKWUCYNGJGEOSJ-UHFFFAOYSA-N- Molecular formula
- C18H16IN3O2
- Average molar mass
- 433.2 g/mol
Names & identifiers
- Preferred name
- (3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone
- IUPAC
- [3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-morpholin-4-ylmethanone
Names & synonyms
SCHEMBL1516580SKWUCYNGJGEOSJ-UHFFFAOYSA-NDB-372431(3-(3-iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)(morpholino)methanone[3-(3-Iodo-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-4-morpholinylmethanone875639-34-2
Database identifiers
- PubChem CID
- 59699903
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 458
Related reactions
14 records
Compound notes
Loading…