UCSF

ZINC02547813

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: 3-Chloro-4-cyanopyridine 3-Chloro-4-cyanopyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 68325-15-5 , [13012-38-9] , [325-15-5] , [68325-15-5]

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) 1.23 3.54 -5.66 0 2 0 37 138.557 0 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 71-74? Alfa-Aesar
Melting_Point 71-74° Alfa-Aesar
MP 73 - 75 Enamine Building Blocks
MP 73...75 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Toxic Matrix Scientific

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

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