Basic information
- Standard SMILES
Cn1nc2c(c1I)CCCCC2- InChIKey
GEBQYHWMMVMHCH-UHFFFAOYSA-N- Molecular formula
- C9H13IN2
- Average molar mass
- 276.12 g/mol
Names & identifiers
- Preferred name
- 3-Iodo-2-methyl-2,4,5,6,7,8-hexahydrocycloheptapyrazole
- IUPAC
- 3-iodo-2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazole
Names & synonyms
SCHEMBL14738139GEBQYHWMMVMHCH-UHFFFAOYSA-N3-iodo-2-methyl-2,4,5,6,7,8-hexahydrocycloheptapyrazole
Database identifiers
- PubChem CID
- 71280229
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Related reactions
1 records
Compound notes
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