1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methoxypiperidin-4-imine
Basic information
- CAS
250714-12-6- Standard SMILES
CON=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1- InChIKey
DTCPMIVWDZGGRO-UHFFFAOYSA-N- Molecular formula
- C12H13ClF3N3O
- Average molar mass
- 307.7 g/mol
- Monoisotopic mass
- 307.0699242
Names & identifiers
- Preferred name
- 1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methoxypiperidin-4-imine
- IUPAC
- 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-methoxypiperidin-4-imine
- English name
- 1-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-methyloxime
- Molecular formula
- C12H13ClF3N3O
- Molecular weight
- 307.7
Names & synonyms
250714-12-61-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-N-methoxypiperidin-4-imine1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]tetrahydro-4(1H)-pyridinone O-methyloximeMFCD00202491MLS000325741CHEMBL1409385DTXSID001142001HMS2415J04AKOS005074507SMR00016961210F-9701-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperidin-4-one O-methyl oxime
Show more names
1-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-N-methoxy-piperidin-4-imine4-Piperidinone, 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-, O-methyloxime
Database identifiers
- CAS
250714-12-6- PubChem CID
- 1477083
- DTXSID
DTXSID001142001- ChEMBL
CHEMBL1409385
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 37.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 354
Physicochemical properties
- Boiling point
- 369.5 · 369.5±52.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 3.55 · 3.55±0.39(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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