Basic information
- Standard SMILES
O=c1c2cc(I)ccc2oc2ncc(Br)cc12- InChIKey
UKRJVCVODMQALX-UHFFFAOYSA-N- Molecular formula
- C12H5BrINO2
- Average molar mass
- 401.98 g/mol
Names & identifiers
- Preferred name
- 3-bromo-7-iodo-5H-chromeno[2,3-b]pyridin-5-one
- IUPAC
- 3-bromo-7-iodochromeno[2,3-b]pyridin-5-one
Names & synonyms
SCHEMBL2370967SCHEMBL29693906UKRJVCVODMQALX-UHFFFAOYSA-N3-bromo-7-iodo-5H-chromeno[2,3-b]pyridin-5-one3-Bromo-7-iodo-5H-chromeno[2,3-b]pyridine-5-one
Database identifiers
- PubChem CID
- 57475648
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 328
Related reactions
9 records
Compound notes
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