UCSF

ZINC00154412

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 5-(Chloromethyl)-2-(trifluoromethyl)pyridine 5-(Chloromethyl)-2-(trifluoromet…

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CAS Numbers: 358780-13-9 , 386715-33-9 , [386715-33-9]

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) 2.24 2.57 -6.35 0 1 0 13 195.571 2 ↓
Lo Low (pH 4.5-6) 2.24 2.62 -33.79 1 1 1 14 196.579 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 110°/19mm Oakwood Chemical
BP 92-94°/6-8mb Fluorochem
BP 92-94°/6-8mm Matrix Scientific
Purity 95% Fluorochem
Purity 98% Fluorochem
Warnings Irritant Matrix Scientific
melting_point Oil KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.