UCSF

ZINC15903639

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2008 9 Yes

Popular Name: 2-Cyano-5-methylpyridine 2-Cyano-5-methylpyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1620-75-3 , 1620-77-5 , 52092-47-4 , 95727-86-9 , [1620-77-5]

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) 0.98 3.68 -7.15 0 2 0 37 118.139 0 ↓
Lo Low (pH 4.5-6) 0.98 3.95 -35.44 1 2 1 38 119.147 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 72-75? Alfa-Aesar
MP 73-75° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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