N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine

HCID 2727273
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Basic information

CAS
813425-49-9
Standard SMILES
CN(C)c1ncc([N+](=O)[O-])cc1C(F)(F)F
InChIKey
CJDOYGOANMFTGB-UHFFFAOYSA-N
Molecular formula
C8H8F3N3O2
Average molar mass
235.16 g/mol
Monoisotopic mass
235.05686099

Names & identifiers

Preferred name
N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine
IUPAC
N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine

Names & synonyms

N,N-dimethyl-5-nitro-3-(trifluoromethyl)pyridin-2-amine813425-49-9N,N-dimethyl-5-nitro-3-(trifluoromethyl)-2-pyridinamineMFCD02679108MLS000861412SCHEMBL3594252CHEMBL14659823-(Trifluoromethyl)-N,N-dimethyl-5-nitropyridin-2-amineDTXSID601324837HMS2797A18CCG-247104SMR000460196
Show more names
DB-432035Dimethyl-(5-nitro-3-trifluoromethyl-pyridin-2-yl)-amine

Database identifiers

CAS
813425-49-9
PubChem CID
2727273
DTXSID
DTXSID601324837
ChEMBL
CHEMBL1465982

Properties

Computed structural propertiesFilling in

XLogP
2
Topological polar surface area
62 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
1
Heavy atoms
16

Experimental & physicochemical properties

Solubility5.2 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

2 records
New reaction record

Compound notes

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