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Methyl 5-iodopicolinate

CAT: 0127-OR73487-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR73487-01Size:5 g
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CAS Number
41960-44-5
MDL Number
MFCD20489495
Purity
95%
Smiles
COC(=O)C1=NC=C(C=C1)I

Chemical Information

Methyl 5-iodopyridine-2-carboxylate
CAS Number41960-44-5
PubChem CID22641109
IUPAC Namemethyl 5-iodopyridine-2-carboxylate
Molecular FormulaC7H6INO2
Molecular Weight263.03
XLogP1
Topological Polar Surface Area39.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
COC(=O)C1=NC=C(C=C1)I
InChI
InChI=1S/C7H6INO2/c1-11-7(10)6-3-2-5(8)4-9-6/h2-4H,1H3
InChIKey
QETAXCDWNFMFCM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 5-iodopyridine-2-carboxylate
CAS: 41960-44-5
CID: 22641109
Formula: C7H6INO2
MW: 263.03
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight263.03
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass262.94433
Monoisotopic Mass262.94433
Topological Polar Surface Area39.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
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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