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6,6'-Dimethoxy-3,3'-bipyridine

CAT: 0127-OR1068516-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1068516-01Size:100 mg
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CAS Number
95881-82-6
MDL Number
MFCD03084352
Purity
98%
Smiles
COC1=CC=C(C2=CC=C(OC)N=C2)C=N1

Chemical Information

6,6'-Dimethoxy-3,3'-bipyridine
CAS Number95881-82-6
PubChem CID11138507
IUPAC Name2-methoxy-5-(6-methoxy-3-pyridinyl)pyridine
Molecular FormulaC12H12N2O2
Molecular Weight216.24
XLogP2
Topological Polar Surface Area44.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity191
SMILES
COC1=NC=C(C=C1)C2=CN=C(C=C2)OC
InChI
InChI=1S/C12H12N2O2/c1-15-11-5-3-9(7-13-11)10-4-6-12(16-2)14-8-10/h3-8H,1-2H3
InChIKey
KAXHWXGWCLMXDM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,6'-Dimethoxy-3,3'-bipyridine
CAS: 95881-82-6
CID: 11138507
Formula: C12H12N2O2
MW: 216.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.24
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass216.089877630
Monoisotopic Mass216.089877630
Topological Polar Surface Area44.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity191
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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Alternative Products

CatalogName
sc-2683226,6'-Dibromo-3,3'-bipyridine
426822-013,3'-Bipyridine-6,6'-dicarbonitrile
JH9196806,6'-diformyl-3,3'-bipyridine
sc-2683236,6'-Dichloro-3,3'-bipyridine
270985-016,6'-Dihydroxy-3,3'-bipyridine
447157-01Dimethyl 3,3'-bipyridine-6,6'-dicarboxylate
sc-299964A6-Bromo-6'-chloro-3,3'-bipyridine
PYB33761-01[3,3'-Bipyridine]-6-carbonitrile
sc-3000496,6'-Dibromo-2,3'-bipyridine
sc-298673A2,6'-Dichloro-3,3'-bipyridine

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