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3'-chloro-3,4'-bipyridine

CAT: 0127-OR1081120-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1081120-01Size:250 mg
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CAS Number
1214356-52-1
MDL Number
MFCD15475282
Purity
97%
Smiles
C1 (c (cncc1) Cl) c1cnccc1

Chemical Information

3'-Chloro-3,4'-bipyridine
CAS Number1214356-52-1
PubChem CID46315369
IUPAC Name3-chloro-4-pyridin-3-ylpyridine
Molecular FormulaC10H7ClN2
Molecular Weight190.63
XLogP2
Topological Polar Surface Area25.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity163
SMILES
C1=CC(=CN=C1)C2=C(C=NC=C2)Cl
InChI
InChI=1S/C10H7ClN2/c11-10-7-13-5-3-9(10)8-2-1-4-12-6-8/h1-7H
InChIKey
NQYDBKXBNOQVBE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3'-Chloro-3,4'-bipyridine
CAS: 1214356-52-1
CID: 46315369
Formula: C10H7ClN2
MW: 190.63
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight190.63
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass190.0297759
Monoisotopic Mass190.0297759
Topological Polar Surface Area25.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity163
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