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3-Bromopyridine-d4

CAT: 0572-TRC-B686742-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B686742-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
66148-14-9
Synonyms
Pyridine-2,3,4,6-d4, 5-bromo- (9CI); 3-Bromopyridine-d4; 5-Bromopyridine-2,3,4,6-d4; 3-Bromopyridine-D4
Hazard Statement
Flammable liquid and vapour; UN number: UN2810; Packing Group: III
Smiles
[2H]c1nc([2H])c(Br)c([2H])c1[2H]
Molecular Formula
C5 D4 Br N
Molecular Weight
162.021
InChI
InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H/i1D,2D,3D,4D
Additionnal Information
IUPAC name: 3-bromo-2,4,5,6-tetradeuteriopyridine
Shipping Conditions
Room Temperature

Chemical Information

3-Bromopyridine-D4
CAS Number66148-14-9
PubChem CID45788499
IUPAC Name3-bromo-2,4,5,6-tetradeuteriopyridine
Molecular FormulaC5H4BrN
Molecular Weight162.02
XLogP1.6
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity56
SMILES
[2H]C1=C(C(=C(N=C1[2H])[2H])Br)[2H]
InChI
InChI=1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H/i1D,2D,3D,4D
InChIKey
NYPYPOZNGOXYSU-RHQRLBAQSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromopyridine-D4
CAS: 66148-14-9
CID: 45788499
Formula: C5H4BrN
MW: 162.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight162.02
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass160.97782
Monoisotopic Mass160.97782
Topological Polar Surface Area12.9 Ų
Heavy Atom Count7
Formal Charge0
Complexity56
Isotope Atom Count4
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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