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3-iodo-2,4-dimethoxypyridine

CAT: 0127-OR1090360-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1090360-01Size:250 mg
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CAS Number
2918869-93-7
MDL Number
MFCD34780792
Purity
97%
Smiles
C1cnc (c (c1OC) I) OC

Chemical Information

3-Iodo-2,4-dimethoxypyridine
CAS Number2918869-93-7
PubChem CID69615218
IUPAC Name3-iodo-2,4-dimethoxypyridine
Molecular FormulaC7H8INO2
Molecular Weight265.05
XLogP1.8
Topological Polar Surface Area31.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity123
SMILES
COC1=C(C(=NC=C1)OC)I
InChI
InChI=1S/C7H8INO2/c1-10-5-3-4-9-7(11-2)6(5)8/h3-4H,1-2H3
InChIKey
IXVDGAPKNGOGRB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Iodo-2,4-dimethoxypyridine
CAS: 2918869-93-7
CID: 69615218
Formula: C7H8INO2
MW: 265.05
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight265.05
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass264.95998
Monoisotopic Mass264.95998
Topological Polar Surface Area31.4 Ų
Heavy Atom Count11
Formal Charge0
Complexity123
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