UCSF

ZINC02386470

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 13 Yes

Popular Name: 2-(Trifluoromethyl)nicotinic acid 2-(Trifluoromethyl)nicotinic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 131747-43-8 , [131747-43-8]

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) 1.57 3.25 -48.58 0 3 -1 53 190.1 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 183-186° Oakwood Chemical
MP 184-188° Matrix Scientific
mp 185 - 186 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 185-187? Alfa-Aesar
Melting_Point 185-187° Alfa-Aesar
MP 187 - 189 Enamine Building Blocks
MP 187...189 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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