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2-Iodo-6-methylpyridine

CAT: 0127-OR345383-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR345383-01Size:1 g
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CAS Number
62674-71-9
MDL Number
MFCD11044364
Purity
98%
Smiles
Cc1cccc(I)n1

Chemical Information

2-Iodo-6-methylpyridine
CAS Number62674-71-9
PubChem CID12318009
IUPAC Name2-iodo-6-methylpyridine
Molecular FormulaC6H6IN
Molecular Weight219.02
XLogP2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
CC1=NC(=CC=C1)I
InChI
InChI=1S/C6H6IN/c1-5-3-2-4-6(7)8-5/h2-4H,1H3
InChIKey
NRQIFSBIYCSMQV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Iodo-6-methylpyridine
CAS: 62674-71-9
CID: 12318009
Formula: C6H6IN
MW: 219.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight219.02
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass218.95450
Monoisotopic Mass218.95450
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

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