UCSF

ZINC00167869

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 No

Popular Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1H-pyrrole-2-carbaldehyde 1-[3-chloro-5-(trifluoromethyl)-…

Find On: PubMed — Wikipedia — Google

CAS Number: 321430-69-7

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) 3.25 3.78 -7.08 0 3 0 34 274.629 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 60 - 63 KeyOrganics
MP 60-63° 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.