UCSF

ZINC00169455

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 15 Yes

Popular Name: 2-chloro-5-phenylnicotinonitrile 2-chloro-5-phenylnicotinonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 10177-10-3 , [10177-10-3]

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) 3.36 6.85 -6.25 0 2 0 37 214.655 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 143 - 147 KeyOrganics
Melting_Point 143-147? Alfa-Aesar
Melting_Point 143-147° Alfa-Aesar
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.