UCSF

ZINC00016086

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 5-(methoxycarbonyl)pyridine-2-carboxylic acid 5-(methoxycarbonyl)pyridine-2-ca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17874-79-2 , [17874-79-2]

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) 0.18 3.94 -45.86 0 5 -1 79 180.139 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 1.800000000000000e+002 - 1.820000000000000e+002 KeyOrganics
melting_point 180 - 182 KeyOrganics
MP 180-182° Matrix Scientific
MP 184 - 186 Enamine Building Blocks
MP 184...186 Enamine Building Blocks
MP 188-189°(dec.) Fluorochem
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% )