UCSF

ZINC14007942

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 9 Yes

Popular Name: 2,3-dihydro-1H-pyrrolo[2,3-b]pyridine 2,3-dihydro-1H-pyrrolo[2,3-b]pyr…

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CAS Numbers: 10592-27-5 , [10592-27-5]

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) 0.89 3.13 -26.56 2 2 1 26 121.163 0 ↓
Hi High (pH 8-9.5) 0.32 2.37 -65.73 6 8 0 146 433.53 11 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 78-83? Alfa-Aesar
MP 79 - 81 Enamine Building Blocks
MP 79...81 Enamine Building Blocks
melting_point 80 - 82 KeyOrganics
MP 80-82° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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