4-(Difluoromethyl)nicotinaldehyde
Basic information
- CAS
1256805-34-1- Standard SMILES
O=Cc1cnccc1C(F)F- InChIKey
GCNOPYGADFUUFJ-UHFFFAOYSA-N- Molecular formula
- C7H5F2NO
- Average molar mass
- 157.12 g/mol
- Monoisotopic mass
- 157.03392011
Names & identifiers
- Preferred name
- 4-(Difluoromethyl)nicotinaldehyde
- IUPAC
- 4-(difluoromethyl)pyridine-3-carbaldehyde
Names & synonyms
4-(Difluoromethyl)nicotinaldehyde1256805-34-14-(difluoromethyl)pyridine-3-carbaldehyde4-(Difluoromethyl)pyridine-3-carboxaldehydeDTXSID5012629334-(Difluoromethyl)-3-pyridinecarboxaldehydeCS-0100045D76052
Database identifiers
- CAS
1256805-34-1- PubChem CID
- 83854652
- DTXSID
DTXSID501262933
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 140
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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