UCSF

ZINC01529156

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 11 Yes

Popular Name: 6-(TRIFLUOROMETHYL)PYRIDIN-3-OL 6-(TRIFLUOROMETHYL)PYRIDIN-3-OL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 216766-12- , 216766-12-0 , [216766-12-0]

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) 1.61 0.89 -6.25 1 2 0 33 163.098 1 ↓
Lo Low (pH 4.5-6) 1.61 1.16 -32.93 2 2 1 34 164.106 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 174-176? Alfa-Aesar
MP 174-176° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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

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