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3-Pyridinemethanol-d6

CAT: 0804-HY-W740341-01Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W740341-01Size:2.5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
3-Pyridinemethanol-d6 is the deuterium labeled 3-Pyridinemethanol. 3-Pyridinemethanol (Nicotinyl alcohol), a pyridine derivative, is a cholesterol-lowering agent[1][2].
CAS Number
1189493-62-6
UNSPSC
12352005
Target
CETP; Isotope-Labeled Compounds
Related Pathways
Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease
Smiles
[2H]C1=C([2H])C(C([2H])(O)[2H])=C([2H])N=C1[2H]
Molecular Formula
C6HD6NO
Molecular Weight
115.16
Shipping Conditions
Room temperature
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

3-Pyridylcarbinol-d6
CAS Number1189493-62-6
PubChem CID46782827
IUPAC Namedideuterio-(2,4,5,6-tetradeuterio-3-pyridinyl)methanol
Molecular FormulaC6H7NO
Molecular Weight115.16
XLogP0
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity65
SMILES
[2H]C1=C(C(=C(N=C1[2H])[2H])C([2H])([2H])O)[2H]
InChI
InChI=1S/C6H7NO/c8-5-6-2-1-3-7-4-6/h1-4,8H,5H2/i1D,2D,3D,4D,5D2
InChIKey
MVQVNTPHUGQQHK-NVSFMWKBSA-N
Chemical Structure
2D Structure
2D structure of 3-Pyridylcarbinol-d6
CAS: 1189493-62-6
CID: 46782827
Formula: C6H7NO
MW: 115.16
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight115.16
XLogP30
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass115.090424322
Monoisotopic Mass115.090424322
Topological Polar Surface Area33.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity65.5
Isotope Atom Count6
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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