UCSF

ZINC12471703

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 9 Yes

Popular Name: 4-Cyano-2-iodopyridine 4-Cyano-2-iodopyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 114821-24-8 , [114821-24-8]

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) 1.83 4.05 -5.54 0 2 0 37 230.008 0 ↓
Lo Low (pH 4.5-6) 1.83 4.37 -39.19 1 2 1 38 231.016 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 77-80? Alfa-Aesar
Melting_Point 77-80° Alfa-Aesar
Purity 95% Fluorochem

Activity (Go SEA)

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

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