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4- (3-Iodo-2-pyridinyl-morpholine

CAT: 0127-OR1098209Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-OR1098209Size:1 Each
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CAS Number
470463-40-2
MDL Number
MFCD04039864
Smiles
C1cnc (c (c1) I) N1CCOCC1

Chemical Information

4-(3-Iodopyridin-2-yl)morpholine
CAS Number470463-40-2
PubChem CID17750161
IUPAC Name4-(3-iodo-2-pyridinyl)morpholine
Molecular FormulaC9H11IN2O
Molecular Weight290.10
XLogP1.6
Topological Polar Surface Area25.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity162
SMILES
C1COCCN1C2=C(C=CC=N2)I
InChI
InChI=1S/C9H11IN2O/c10-8-2-1-3-11-9(8)12-4-6-13-7-5-12/h1-3H,4-7H2
InChIKey
QFHWWOMWOKEOOV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-Iodopyridin-2-yl)morpholine
CAS: 470463-40-2
CID: 17750161
Formula: C9H11IN2O
MW: 290.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight290.10
XLogP31.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass289.99161
Monoisotopic Mass289.99161
Topological Polar Surface Area25.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity162
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