2-[3-(Trifluoromethyl)phenyl]furo[3,2-C]pyridin-4(5h)-One
Basic information
- CAS
892163-50-7- Standard SMILES
O=c1[nH]ccc2oc(-c3cccc(C(F)(F)F)c3)cc12- InChIKey
ICVXPLDIRPNIOG-UHFFFAOYSA-N- Molecular formula
- C14H8F3NO2
- Average molar mass
- 279.21 g/mol
- Monoisotopic mass
- 279.05071298
Names & identifiers
- Preferred name
- 2-[3-(Trifluoromethyl)phenyl]furo[3,2-C]pyridin-4(5h)-One
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]-5H-furo[3,2-c]pyridin-4-one
Names & synonyms
892163-50-72-[3-(Trifluoromethyl)phenyl]furo[3,2-C]pyridin-4(5h)-One2-[3-(Trifluoromethyl)phenyl]-4H,5H-furo[3,2-c]pyridin-4-one2-(3-(Trifluoromethyl)phenyl)furo[3,2-c]pyridin-4(5H)-one2-[3-(trifluoromethyl)phenyl]-5H-furo[3,2-c]pyridin-4-oneSCHEMBL30722872AKOS024411331Q274656612-[3-(trifluoromethyl)phenyl]-4,5-dihydrofuro[3,2-c]pyridin-4-one
Database identifiers
- CAS
892163-50-7- PubChem CID
- 4338928
- EC Number
- 131-043-4
- Nikkaji
- J3.456.852I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 421
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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