UCSF

ZINC02507201

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 9 Yes

Popular Name: 5-Bromo-3-pyridinemethanol 5-Bromo-3-pyridinemethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 22620-36-6 , 37669-64-0 , [37669-64-0]

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) 0.99 0.64 -5.12 1 2 0 33 188.024 1 ↓
Lo Low (pH 4.5-6) 0.99 0.92 -32.94 2 2 1 34 189.032 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 151 - 153 Enamine Building Blocks
MP 151...153 Enamine Building Blocks
BP [°C] 154 (p=4 torr) Acros Organics
BP 154°/4mm Oakwood Chemical
Mp [°C] 27 Acros Organics
MP 27° Oakwood Chemical
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
H phrase H312: Harmful in contact with skin Acros Organics
H phrase H312: Harmful in contact with skin; H319: Causes serious eye irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H332: Harmful if inhaled; H335: May cause respiratory irritation Acros Organics
Warnings IRRITANT Matrix Scientific
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection Acros Organics
P phrase P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. Acros Organics
R phrase R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray. Acros Organics
S phrase S23: Do not breathe gas/fumes/vapour/spray.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. Acros Organics
Hazard XN: Harmful Acros Organics

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