UCSF

ZINC01611435

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2005 11 No

Popular Name: 4-Methoxy-3-nitropyridine 4-Methoxy-3-nitropyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 31872-61-4 , 31872-62-5 , [31872-61-4] , [31872-62-5]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.81 3.45 -9.66 0 5 0 68 154.125 2 ↓
Mid Mid (pH 6-8) 0.81 3.73 -45.77 1 5 1 69 155.133 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 72-77° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity >97% Fluorochem
Melting_Point ca 270? dec. Alfa-Aesar
Melting_Point ca 270° dec. Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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