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2-Chloro-5-ethynylpyridine

CAT: 0572-TRC-C366210-2.5GSize: 2.5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-C366210-2.5GSize:2.5 g
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CAS Number
263012-63-1
Hazard Statement
No Data Available
Smiles
Clc1ccc(cn1)C#C
Molecular Formula
C7 H4 Cl N
Molecular Weight
137.566
InChI
InChI=1S/C7H4ClN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H
Additionnal Information
IUPAC name: 2-chloro-5-ethynylpyridine
Shipping Conditions
Room Temperature

Chemical Information

2-Chloro-5-ethynylpyridine
CAS Number263012-63-1
PubChem CID10654281
IUPAC Name2-chloro-5-ethynylpyridine
Molecular FormulaC7H4ClN
Molecular Weight137.56
XLogP2.1
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity135
SMILES
C#CC1=CN=C(C=C1)Cl
InChI
InChI=1S/C7H4ClN/c1-2-6-3-4-7(8)9-5-6/h1,3-5H
InChIKey
PGLDMOFVMPWSEN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Chloro-5-ethynylpyridine
CAS: 263012-63-1
CID: 10654281
Formula: C7H4ClN
MW: 137.56
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight137.56
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass137.0032268
Monoisotopic Mass137.0032268
Topological Polar Surface Area12.9 Ų
Heavy Atom Count9
Formal Charge0
Complexity135
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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