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3-Pyridinemethanol

CAT: 0804-HY-B0893-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0804-HY-B0893-01Size:25 g
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Description
3-Pyridinemethanol (Nicotinyl alcohol), a pyridine derivative, is a cholesterol-lowering agent. 3-Pyridinemethanol can be selectively oxidized to vitamin B3[1][2][3].
CAS Number
100-55-0
Product Name Alternative
Nicotinyl alcohol; Pyridine-3-carbinol
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CETP
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/3-Pyridinemethanol.html
Purity
99.90
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
OCC1=CC=CN=C1
Molecular Formula
C6H7NO
Molecular Weight
109.13
Precautions
H302, H315, H319, H335
References & Citations
[1]Heiberg A. Nikotinyl-alkohol som kolesterolsenkende medikament [Nicotinyl alcohol as a cholesterol-lowering agent]. Nord Med. 1969;81 (22) :698-700.|[2]Gargaun S, et al. A novel method aimed at counteracting the side effects caused by prostaglandin e2 deficiency during non-steroidal anti-inflammatory drug therapy. Antiinflamm Antiallergy Agents Med Chem. 2014;13 (2) :121-127. |[3]Spasiano D, et al. The role of superficial radicals in the kinetic modeling of 3-pyridinemethanol and 3-pyridinecarboxyaldehyde selective oxidation to vitamin B3 in water by means of a TiO2/Cu (II) /UV-solar photocatalytic system[J]. Chemical Engineering Journal, 2016, 283: 1176-1186.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-Pyridinemethanol

3-pyridinemethanol is a member of the class of pyridines that is pyridine which is substituted by a hydroxymethyl group at position 3. It has a role as a vasodilator agent and an antilipemic drug. It is a member of pyridines and an aromatic primary alcohol.

CAS Number100-55-0
PubChem CID7510
IUPAC Namepyridin-3-ylmethanol
Molecular FormulaC6H7NO
Molecular Weight109.13
XLogP0
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity65
SMILES
C1=CC(=CN=C1)CO
InChI
InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2
InChIKey
MVQVNTPHUGQQHK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridinemethanol
CAS: 100-55-0
CID: 7510
Formula: C6H7NO
MW: 109.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight109.13
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass109.052763847
Monoisotopic Mass109.052763847
Topological Polar Surface Area33.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity65.5
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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