UCSF

ZINC02510866

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: 5-Chloro-2-cyanopyridine 5-Chloro-2-cyanopyridine

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CAS Numbers: 89809-64-3 , [89809-64-3]

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) 1.37 3.53 -5.71 0 2 0 37 138.557 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 106-108? Alfa-Aesar
MP 106-108° Oakwood Chemical
BP 110°/3 Torr Matrix Scientific
MP 83-84° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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