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4-Methyl-2,2’-bipyridine

CAT: 0127-OR50966-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR50966-01Size:100 mg
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CAS Number
56100-19-7
MDL Number
MFCD08062570
Purity
97%
Smiles
Cc1ccnc(c1)c2ccccn2

Chemical Information

4-Methyl-2,2'-bipyridine
CAS Number56100-19-7
PubChem CID11019291
IUPAC Name4-methyl-2-pyridin-2-ylpyridine
Molecular FormulaC11H10N2
Molecular Weight170.21
XLogP2.1
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity158
SMILES
CC1=CC(=NC=C1)C2=CC=CC=N2
InChI
InChI=1S/C11H10N2/c1-9-5-7-13-11(8-9)10-4-2-3-6-12-10/h2-8H,1H3
InChIKey
OHSRAWAUPZWNKY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Methyl-2,2'-bipyridine
CAS: 56100-19-7
CID: 11019291
Formula: C11H10N2
MW: 170.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight170.21
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass170.084398327
Monoisotopic Mass170.084398327
Topological Polar Surface Area25.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity158
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