UCSF

ZINC02383994

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Bromo-3-methyl-5-nitropyridine 2-Bromo-3-methyl-5-nitropyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 117391-49-8 , 23132-21-0 , 304873-96-9 , [23132-21-0]

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) 2.35 0.31 -4.58 0 4 0 59 217.022 1 ↓
Lo Low (pH 4.5-6) 2.35 0.42 -33.56 1 4 1 60 218.03 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 55-59? Alfa-Aesar
Melting_Point 55-59° Alfa-Aesar
MP 57-58° Matrix Scientific
MP 58 TCI
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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