UCSF

ZINC01463603

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 12 Yes

Popular Name: 2-Cyano-5-(trifluoromethyl)pyridine 2-Cyano-5-(trifluoromethyl)pyridine

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CAS Numbers: 95727-86-9 , [95727-86-9]

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) 1.42 4 -6.13 0 2 0 37 172.109 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 41-44° Matrix Scientific
MP 43-45° Oakwood Chemical
Purity 95% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Irritant-Harmful Matrix Scientific

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

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