UCSF

ZINC08698096

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 11 No

Popular Name: 6-Methyl-5-nitropyridin-2-ol 6-Methyl-5-nitropyridin-2-ol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 100859-84-5 , 210963-94-3 , 28489-45-4 , [28489-45-4]

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) 0.71 1.1 -13.12 1 5 0 79 154.125 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 201-203? Alfa-Aesar
Melting_Point 201-203° Alfa-Aesar
Mp [°C] 230 - 232 Acros Organics
Melting_Point 233-236? Alfa-Aesar
Melting_Point 233-236° Alfa-Aesar
MP 236 TCI
Purity 97% Fluorochem
H phrase H318: Causes serious eye damage; H315: Causes skin irritation; H335: May cause respiratory irritation Acros Organics
H phrase H319: Causes serious eye irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray Acros Organics
P phrase P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
R phrase R36/37/38: Irritating to eyes, respiratory system and skin.; R41: Risk of serious damage to eyes. Acros Organics
S phrase S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Acros Organics
Hazard XI: Irritant Acros Organics

Activity (Go SEA)

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

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