UCSF

ZINC12359366

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 9 Yes

Popular Name: 4-Bromo-3-cyanopyridine 4-Bromo-3-cyanopyridine

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CAS Numbers: 154237-70-4 , [154237-70-4]

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) 1.19 3.64 -5.65 0 2 0 37 183.008 0 ↓
Lo Low (pH 4.5-6) 1.19 3.91 -45.71 1 2 1 38 184.016 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 120-122? Alfa-Aesar
Melting_Point 120-122° Alfa-Aesar
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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