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4,4'-Dimethyl-2,2'-bipyridine

CAT: 0931-Fr12487Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr12487Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1134-35-6
Purity
>99.99%
Bioactivity
Compound Fr12487, with CAS No. 1134-35-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr12487 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Cc1ccnc(c1)-c1cc(C)ccn1
Molecular Formula
C12H12N2
Molecular Weight
184.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4,4'-Dimethyl-2,2'-bipyridine

structure in first source

CAS Number1134-35-6
PubChem CID14338
IUPAC Name4-methyl-2-(4-methyl-2-pyridinyl)pyridine
Molecular FormulaC12H12N2
Molecular Weight184.24
XLogP2.2
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity161
SMILES
CC1=CC(=NC=C1)C2=NC=CC(=C2)C
InChI
InChI=1S/C12H12N2/c1-9-3-5-13-11(7-9)12-8-10(2)4-6-14-12/h3-8H,1-2H3
InChIKey
NBPGPQJFYXNFKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,4'-Dimethyl-2,2'-bipyridine
CAS: 1134-35-6
CID: 14338
Formula: C12H12N2
MW: 184.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight184.24
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass184.100048391
Monoisotopic Mass184.100048391
Topological Polar Surface Area25.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity161
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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