UCSF

ZINC02559904

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 9 Yes

Popular Name: 2-Bromo-5-cyanopyridine 2-Bromo-5-cyanopyridine

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CAS Numbers: 139585-70-9 , [139585-70-9]

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) 1.61 3.64 -5.67 0 2 0 37 183.008 0 ↓
Lo Low (pH 4.5-6) 1.61 3.92 -37.53 1 2 1 38 184.016 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 116-118° Matrix Scientific
MP 143-145° Oakwood Chemical
Purity 97% Matrix Scientific
Purity 98% APIChem
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.