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2- (m-Tolyl) pyridine

CAT: 0127-OR1044358-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1044358-01Size:100 mg
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CAS Number
4373-61-9
MDL Number
MFCD06201378
Purity
95%
Smiles
CC1=CC(C2=NC=CC=C2)=CC=C1

Chemical Information

2-(m-Tolyl)pyridine
CAS Number4373-61-9
PubChem CID2760014
IUPAC Name2-(3-methylphenyl)pyridine
Molecular FormulaC12H11N
Molecular Weight169.22
XLogP3
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity155
SMILES
CC1=CC(=CC=C1)C2=CC=CC=N2
InChI
InChI=1S/C12H11N/c1-10-5-4-6-11(9-10)12-7-2-3-8-13-12/h2-9H,1H3
InChIKey
JMTCQDNRTSGBGC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(m-Tolyl)pyridine
CAS: 4373-61-9
CID: 2760014
Formula: C12H11N
MW: 169.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.22
XLogP33
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass169.089149355
Monoisotopic Mass169.089149355
Topological Polar Surface Area12.9 Ų
Heavy Atom Count13
Formal Charge0
Complexity155
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