UCSF

ZINC12336459

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 14th, 2008 11 Yes

Popular Name: 5-cyano-2-pyridinecarboxylic acid 5-cyano-2-pyridinecarboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 53234-55-2 , 6631-37-4 , [53234-55-2]

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) 0.10 2.7 -47.05 0 4 -1 77 147.113 1 ↓
Hi High (pH 8-9.5) 0.65 2.92 -70.16 6 11 1 167 489.615 16 ↓

Vendor Notes

Note Type Comments Provided By
MP 199 - 201 Enamine Building Blocks
MP 199...201 Enamine Building Blocks
MP 202 - 204 Enamine Building Blocks
MP 204 - 206 Enamine Building Blocks
MP 210 - 215 Enamine Building Blocks
melting_point 212-214 KeyOrganics
Melting_Point 212-214? Alfa-Aesar
Melting_Point 212-214° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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