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(S) -6-Chloronicotine

CAT: 0024-sc-501045Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-501045Size:100 mg
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CAS Number
112091-17-5

Chemical Information

2-chloro-5-((2S)-1-methylpyrrolidin-2-yl)pyridine
CAS Number112091-17-5
PubChem CID10631771
IUPAC Name2-chloro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
Molecular FormulaC10H13ClN2
Molecular Weight196.67
XLogP2.1
Topological Polar Surface Area16.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity174
SMILES
CN1CCC[C@H]1C2=CN=C(C=C2)Cl
InChI
InChI=1S/C10H13ClN2/c1-13-6-2-3-9(13)8-4-5-10(11)12-7-8/h4-5,7,9H,2-3,6H2,1H3/t9-/m0/s1
InChIKey
SVVOLGNZRGLPIU-VIFPVBQESA-N
Chemical Structure
2D Structure
2D structure of 2-chloro-5-((2S)-1-methylpyrrolidin-2-yl)pyridine
CAS: 112091-17-5
CID: 10631771
Formula: C10H13ClN2
MW: 196.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight196.67
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass196.0767261
Monoisotopic Mass196.0767261
Topological Polar Surface Area16.1 Ų
Heavy Atom Count13
Formal Charge0
Complexity174
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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