Basic information
- Standard SMILES
COC(=O)C(C)(C)n1cc(I)c2cnc(Cl)nc21- InChIKey
IRDANRAFTAPSEX-UHFFFAOYSA-N- Molecular formula
- C11H11ClIN3O2
- Average molar mass
- 379.58 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropanoate
- IUPAC
- methyl 2-(2-chloro-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropanoate
Names & synonyms
Methyl 2-(2-chloro-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2-methylpropanoateSCHEMBL12984760IRDANRAFTAPSEX-UHFFFAOYSA-NAT146591402445-12-8DB-129997
Database identifiers
- PubChem CID
- 86672082
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 57 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
2 records
Compound notes
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