UCSF

ZINC00154421

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 5-Amino-2-(trifluoromethyl)pyridine 5-Amino-2-(trifluoromethyl)pyridine

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CAS Numbers: 106877-33- , 106877-33-2 , [106877-33-2]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 1.32 1.63 -6.58 2 2 0 39 162.114 1 ↓
Mid Mid (pH 6-8) 1.32 1.88 -31.06 3 2 1 40 163.122 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 39 - 43 Enamine Building Blocks
MP 39-40° Matrix Scientific
MP 39-40°C Fluorochem
Melting_Point 39-43? Alfa-Aesar
Melting_Point 39-43° Alfa-Aesar
MP 39...43 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks
BP 92-94°/0.01mm Matrix Scientific
BP 92-94°/0.08mm Oakwood Chemical
purity 95 Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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