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6-Bromo-3,3'-bipyridine

CAT: 0127-OR1041322-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1041322-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1088410-80-3
MDL Number
MFCD11869562
Purity
98%
Smiles
BrC1=CC=C(C2=CN=CC=C2)C=N1

Chemical Information

2-Bromo-5-(pyridin-3-yl)pyridine
CAS Number1088410-80-3
PubChem CID45788608
IUPAC Name2-bromo-5-pyridin-3-ylpyridine
Molecular FormulaC10H7BrN2
Molecular Weight235.08
XLogP2.4
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=CN=C(C=C2)Br
InChI
InChI=1S/C10H7BrN2/c11-10-4-3-9(7-13-10)8-2-1-5-12-6-8/h1-7H
InChIKey
IGESWGAGVGFDEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-(pyridin-3-yl)pyridine
CAS: 1088410-80-3
CID: 45788608
Formula: C10H7BrN2
MW: 235.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight235.08
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass233.97926
Monoisotopic Mass233.97926
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

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