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5-Methyl-2,2'-bipyridine

CAT: 0572-TRC-M294090-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M294090-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
56100-20-0
Synonyms
5-Methyl-[2,2']bipyridinyl
Hazard Statement
No Data Available
Smiles
CC1O[C@@H](OP(=O)(O)OP(=O)(O)OC[C@H]2O[C@H](C(O)C2O)n3cnc4C(=O)NC(=Nc34)N)C(O)C(O)[C@H]1O
Molecular Formula
C16 H25 N5 O15 P2
Molecular Weight
589.342
InChI
InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4?,5-,7+,8?,9?,10?,11?,14-,15+/m1/s1
Additionnal Information
IUPAC name: [[(2R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2S,5R)-3,4,5-trihydroxy-6-methyloxan-2-yl] hydrogen phosphate
Shipping Conditions
Room Temperature

Chemical Information

5-Methyl-2,2'-bipyridine
CAS Number56100-20-0
PubChem CID11073848
IUPAC Name5-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=CN=C(C=C1)C2=CC=CC=N2
InChI
InChI=1S/C11H10N2/c1-9-5-6-11(13-8-9)10-4-2-3-7-12-10/h2-8H,1H3
InChIKey
LECLRDWVJRSFSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Methyl-2,2'-bipyridine
CAS: 56100-20-0
CID: 11073848
Formula: C11H10N2
MW: 170.21
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
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

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CatalogName
OR50968-015-Methyl-2,2'-bipyridine
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OR10802625-Methyl-2,4'-bipyridine
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OR73467-016-Methyl-2,2'-bipyridine
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