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2-Chloro-4-methylpyridine

CAT: 0931-TYD-00260-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00260-01Size:25 g
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CAS Number
3678-62-4
Bioactivity
2-Chloro-4-methylpyridine is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
C1=C(C)C=CN=C1Cl
Molecular Formula
C6H6ClN
Molecular Weight
127.572
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Chloro-4-methylpyridine
CAS Number3678-62-4
PubChem CID77248
IUPAC Name2-chloro-4-methylpyridine
Molecular FormulaC6H6ClN
Molecular Weight127.57
XLogP1.9
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
CC1=CC(=NC=C1)Cl
InChI
InChI=1S/C6H6ClN/c1-5-2-3-8-6(7)4-5/h2-4H,1H3
InChIKey
MZVSTDHRRYQFGI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-4-methylpyridine
CAS: 3678-62-4
CID: 77248
Formula: C6H6ClN
MW: 127.57
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight127.57
XLogP31.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass127.0188769
Monoisotopic Mass127.0188769
Topological Polar Surface Area12.9 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
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