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2-Chloro-3-ethylpyridine

CAT: 0127-OR1098832Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
96440-05-0
Smiles
C (C) c1c (Cl) nccc1

Chemical Information

2-Chloro-3-ethylpyridine
CAS Number96440-05-0
PubChem CID13400629
IUPAC Name2-chloro-3-ethylpyridine
Molecular FormulaC7H8ClN
Molecular Weight141.60
XLogP2.6
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity85
SMILES
CCC1=C(N=CC=C1)Cl
InChI
InChI=1S/C7H8ClN/c1-2-6-4-3-5-9-7(6)8/h3-5H,2H2,1H3
InChIKey
WRWTXYCFRFIOEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-3-ethylpyridine
CAS: 96440-05-0
CID: 13400629
Formula: C7H8ClN
MW: 141.60
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight141.60
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass141.0345270
Monoisotopic Mass141.0345270
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity85
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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sc-351376A6-chloro-N-ethylpyridine-3-carboxamide
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