UCSF

ZINC05763894

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2006 10 Yes

Popular Name: 3-bromo-1H-pyrrolo[2,3-b]pyridine 3-bromo-1H-pyrrolo[2,3-b]pyridine

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CAS Numbers: 1461713-60-9 , 74420-15-8 , [52488-36-5] , [74420-15-8]

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) 2.00 4.4 -7.55 1 2 0 29 197.035 0 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 172 - 175 KeyOrganics
MP 172-175° Matrix Scientific
MP 185-189° Oakwood Chemical
MP 240 - 242 Enamine Building Blocks
MP 240...242 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity >95% 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.