Basic information
- Standard SMILES
CC(C)(CO)n1cc(I)c2cnc(Cl)nc21- InChIKey
IZUVCAOOYMOMEQ-UHFFFAOYSA-N- Molecular formula
- C10H11ClIN3O
- Average molar mass
- 351.57 g/mol
Names & identifiers
- Preferred name
- 2-(2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropan-1-ol
- IUPAC
- 2-(2-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropan-1-ol
Names & synonyms
2-(2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropan-1-ol1402445-14-0SCHEMBL12985047IZUVCAOOYMOMEQ-UHFFFAOYSA-NAT14666DB-127090
Database identifiers
- PubChem CID
- 86672085
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 50.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
1 records
Compound notes
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