UCSF

ZINC02582041

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 9 Yes

Popular Name: 2-Cyano-4-methylpyridine 2-Cyano-4-methylpyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1620-76-4 , [1620-76-4]

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) 1.31 3.7 -6.99 0 2 0 37 118.139 0 ↓
Lo Low (pH 4.5-6) 1.31 3.96 -36.09 1 2 1 38 119.147 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 145-148?/38mm Alfa-Aesar
Boiling_Point 145-148°/38mm Alfa-Aesar
Melting_Point 85-88? Alfa-Aesar
Melting_Point 85-88° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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