UCSF

ZINC08672866

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2007 8 Yes

Popular Name: 2-Chloro-4-hydroxypyridine 2-Chloro-4-hydroxypyridine

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17228-67-0 , 17368-12-6 , [17368-12-6]

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) 0.32 2.46 -9.98 0 2 0 29 129.546 0 ↓
Mid Mid (pH 6-8) 1.19 0.32 -5.55 1 2 0 33 129.546 0 ↓
Mid Mid (pH 6-8) 1.19 2.14 -32.36 0 2 -1 36 128.538 0 ↓
Mid Mid (pH 6-8) 0.99 2.58 -14.13 1 2 0 33 129.546 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 166 - 168 Enamine Building Blocks
MP 166...168 Enamine Building Blocks
MP 169 TCI
Melting_Point 169-172? Alfa-Aesar
Melting_Point 169-172° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
PUBCHEM_PATENT_ID EP0779887A1; US5998437; WO1997003070A1 IBM Patent Data
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.