UCSF

ZINC00330972

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 3-Cyano-4-methylpyridine 3-Cyano-4-methylpyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1/9/5444 12:00:00 AM , 5444-01-9 , 5444-1-9 , [5444-01-9]

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) 0.83 3.64 -5.81 0 2 0 37 118.139 0 ↓
Lo Low (pH 4.5-6) 0.83 3.91 -40.94 1 2 1 38 119.147 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 108-111?/20mm Alfa-Aesar
BP 108-111°/20mm Matrix Scientific
Melting_Point 41-44? Alfa-Aesar
MP 41-44° Matrix Scientific
MP 44 - 46 Enamine Building Blocks
MP 44...46 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT, KEEP COLD Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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