Basic information
- Standard SMILES
Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c(N)c1I- InChIKey
JXWVIBZQANAOQM-UHFFFAOYSA-N- Molecular formula
- C10H7Cl3IN3
- Average molar mass
- 402.4 g/mol
- Monoisotopic mass
- 400.87503
Names & identifiers
- Preferred name
- 5-Amino-4-iodo-3-methyl-1-(2,4,6-trichlorophenyl)pyrazole
- IUPAC
- 4-iodo-3-methyl-1-(2,4,6-trichlorophenyl)pyrazol-5-amine
Names & synonyms
SCHEMBL6967743JXWVIBZQANAOQM-UHFFFAOYSA-N5-Amino-4-iodo-3-methyl-1-(2,4,6-trichlorophenyl)pyrazole
Database identifiers
- PubChem CID
- 18780720
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 272
Related reactions
2 records
Compound notes
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