Basic information
- Standard SMILES
O=C(c1c(F)ccc([N+](=O)[O-])c1F)c1c[nH]c2ncc(I)cc12- InChIKey
OMGNIXHGEIZZSE-UHFFFAOYSA-N- Molecular formula
- C14H6F2IN3O3
- Average molar mass
- 429.12 g/mol
Names & identifiers
- Preferred name
- (2,6-difluoro-3-nitrophenyl)(5-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
- IUPAC
- (2,6-difluoro-3-nitrophenyl)-(5-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
Names & synonyms
SCHEMBL2017978OMGNIXHGEIZZSE-UHFFFAOYSA-NDS-018000(2,6-difluoro-3-nitro-phenyl)-(5-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)-methanone(2,6-difluoro-3-nitrophenyl)(5-iodo-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone1312942-07-6
Database identifiers
- PubChem CID
- 58368945
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 91.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 492
Related reactions
2 records
Compound notes
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