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2-Cyclopentyloxy-3-iodopyridine

CAT: 0127-OR1098735Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
902837-47-2
MDL Number
MFCD07781166
Smiles
C1cnc (c (c1) I) OC1CCCC1

Chemical Information

2-Cyclopentyloxy-3-iodopyridine
CAS Number902837-47-2
PubChem CID42553134
IUPAC Name2-cyclopentyloxy-3-iodopyridine
Molecular FormulaC10H12INO
Molecular Weight289.11
XLogP3.1
Topological Polar Surface Area22.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
C1CCC(C1)OC2=C(C=CC=N2)I
InChI
InChI=1S/C10H12INO/c11-9-6-3-7-12-10(9)13-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKey
NSPQVGRIZQTEQH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Cyclopentyloxy-3-iodopyridine
CAS: 902837-47-2
CID: 42553134
Formula: C10H12INO
MW: 289.11
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.11
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass288.99636
Monoisotopic Mass288.99636
Topological Polar Surface Area22.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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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