UCSF

ZINC14007927

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 12 No

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

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CAS Numbers: 23709-47-9 , [23709-47-9]

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) 1.15 4.06 -33.52 0 5 -1 73 162.128 1 ↓
Lo Low (pH 4.5-6) 1.15 4.76 -43.57 2 5 1 76 164.144 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 309 - 311 KeyOrganics
MP 309-311° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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