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2,5-Dimethylpyridine

CAT: 0127-OR13598Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
589-93-5
Synonyms
2,5-Lutidine
MDL Number
MFCD00006343
Purity
=95%
Smiles
Cc1ccc(C)nc1

Chemical Information

2,5-Dimethylpyridine
CAS Number589-93-5
PubChem CID11526
IUPAC Name2,5-dimethylpyridine
Molecular FormulaC7H9N
Molecular Weight107.15
XLogP1.6
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity70
SMILES
CC1=CN=C(C=C1)C
InChI
InChI=1S/C7H9N/c1-6-3-4-7(2)8-5-6/h3-5H,1-2H3
InChIKey
XWKFPIODWVPXLX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,5-Dimethylpyridine
CAS: 589-93-5
CID: 11526
Formula: C7H9N
MW: 107.15
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight107.15
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass107.073499291
Monoisotopic Mass107.073499291
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity70.8
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