UCSF

ZINC00154403

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 6-(Trifluoromethyl)nicotinamide 6-(Trifluoromethyl)nicotinamide

Find On: PubMed — Wikipedia — Google

CAS Numbers: 158062-71-6 , 386715-35- , 386715-35-1 , [158062-71-6] , [386715-35-1]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 0.49 0.52 -8.59 2 3 0 56 190.124 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 185 - 187 KeyOrganics
MP 185-187° Matrix Scientific
MP 187 - 189 Enamine Building Blocks
MP 187...189 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific

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Analogs ( Draw Identity 99% 90% 80% 70% )