UCSF

ZINC02599023

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 10 Yes

Popular Name: 5-Chloropyridine-2-carboxylic acid 5-Chloropyridine-2-carboxylic acid

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CAS Numbers: 86873-60-1 , [86873-60-1]

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) 1.19 2.81 -48.16 0 3 -1 53 156.548 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 166-171? Alfa-Aesar
MP 166-171° Matrix Scientific
melting_point 169 - 171 KeyOrganics
MP 171-174° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% 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.