UCSF

ZINC36532804

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2009 14 Yes

Popular Name: methyl 6-chloro-1H-pyrrolo[2,3-b]pyridine-2-carboxylate methyl 6-chloro-1H-pyrrolo[2,3-b…

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CAS Numbers: 1140512-58-8 , [114051-25-1] , [1140512-58-8]

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) 2.35 4.73 -7.1 1 4 0 55 210.62 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 141 - 142 KeyOrganics
MP 141-142° 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.