α-Cyanopyridine-d4

CAT: 0804-HY-Y0245SSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-Y0245SSize:1 mg

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Description

α-Cyanopyridine-d4 is the deuterium labeled α-Cyanopyridine[1].

CAS Number

1219795-17-1

UNSPSC

12352005

Target

Isotope-Labeled Compounds

Type

Isotope-Labeled Compounds

Related Pathways

Others

Field of Research

Others

Solubility

10 mM in DMSO

Smiles

N#CC1=C([2H])C([2H])=C([2H])C([2H])=N1

Molecular Formula

C6D4N2

Molecular Weight

108.13

References & Citations

[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.

Shipping Conditions

Room temperature

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

2-Cyanopyridine-D4

CAS Number	1219795-17-1
PubChem CID	162343619
IUPAC Name	3,4,5,6-tetradeuteriopyridine-2-carbonitrile
Molecular Formula	C6H4N2
Molecular Weight	108.13
XLogP	0.4
Topological Polar Surface Area	36.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	8
Formal Charge	0
Complexity	111

SMILES

[2H]C1=C(C(=NC(=C1[2H])C#N)[2H])[2H]

InChI

InChI=1S/C6H4N2/c7-5-6-3-1-2-4-8-6/h1-4H/i1D,2D,3D,4D

InChIKey

FFNVQNRYTPFDDP-RHQRLBAQSA-N

Chemical Structure

2D Structure

CAS: 1219795-17-1

CID: 162343619

Formula: C6H4N2

MW: 108.13

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	108.13
XLogP3	0.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	108.062555120
Monoisotopic Mass	108.062555120
Topological Polar Surface Area	36.7 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	111
Isotope Atom Count	4
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
C982171	2-Cyanopyridine-d4
sc-206642	3-Cyanopyridine-2,4,5,6-d4
MBS6039173-01	3-Cyanopyridine-2,4,5,6-d4 ()
C8409-25	3-Cyanopyridine-2,4,5,6-d4 (_x000B_)
425286-01	3-Cyanopyridine
TRC-C982225-100G	4-Cyanopyridine
TRC-C982170-5G	2-Cyanopyridine
431993-01	4-Cyanopyridine-13C3
C29210-01	3-Cyanopyridine 98%

α-Cyanopyridine-d4

Chemical Information

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