4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile
Basic information
- CAS
1354705-48-8- Standard SMILES
Cn1nc(C(F)(F)F)c(I)c1C#N- InChIKey
IERYCFCLZHXMHH-UHFFFAOYSA-N- Molecular formula
- C6H3F3IN3
- Average molar mass
- 301.01 g/mol
- Monoisotopic mass
- 300.93238
Names & identifiers
- Preferred name
- 4-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile
- IUPAC
- 4-iodo-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile
Names & synonyms
1354705-48-84-Iodo-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonitrile4-iodo-1-methyl-3-(trifluoromethyl)pyrazole-5-carbonitrileDTXSID801171355SBB074132AKOS0159209704-iodo-2-methyl-5-(trifluoromethyl)pyrazole-3-carbonitrile1H-Pyrazole-5-carbonitrile, 4-iodo-1-methyl-3-(trifluoromethyl)-
Database identifiers
- CAS
1354705-48-8- PubChem CID
- 60136744
- DTXSID
DTXSID801171355
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 245
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Compound notes
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