UCSF

ZINC02598969

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2004 10 Yes

Popular Name: 3-FLUOROPYRIDINE-2-CARBOXYLIC ACID 3-FLUOROPYRIDINE-2-CARBOXYLIC ACID

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1260890-41-2 , 152126-31-3 , 197376-41-3 , 28697-07-6 , 603310-20-9 , [152126-31-3]

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 0.84 2.35 -57.76 0 3 -1 53 140.093 1 ↓
Hi High (pH 8-9.5) 0.97 7.52 -24.64 2 9 0 104 469.517 6 ↓

Vendor Notes

Note Type Comments Provided By
mp 149 - 151 MolMall (formerly Molecular Diversity Preservation International)
MP 154° (dec.) Matrix Scientific
melting_point 167 - 169 (dec) KeyOrganics
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.