UCSF

ZINC12955864

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 13 Yes

Popular Name: 4-(Trifluoromethyl)pyridine-2-carboxylic acid 4-(Trifluoromethyl)pyridine-2-ca…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 588702-62-9 , [588702-62-9]

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) 1.57 3.3 -49.23 0 3 -1 53 190.1 2 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 156 - 158 KeyOrganics
MP 157-158° Oakwood Chemical
MP 159-161° Matrix Scientific
Purity 95% Fluorochem
Purity 97% 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.