Basic information
- Standard SMILES
Cc1c(I)cnn1CC(O)CO- InChIKey
CXVSSGOPHJPGHL-UHFFFAOYSA-N- Molecular formula
- C7H11IN2O2
- Average molar mass
- 282.08 g/mol
Names & identifiers
- Preferred name
- 3-(4-Iodo-5-methylpyrazol-1-yl)propane-1,2-diol
- IUPAC
- 3-(4-iodo-5-methylpyrazol-1-yl)propane-1,2-diol
Names & synonyms
SCHEMBL1359083
Database identifiers
- PubChem CID
- 67004489
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 58.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Related reactions
2 records
Compound notes
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