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5-Bromo-2-cyclopropylpyridine

CAT: 0926-EYA47529Size: 2.5 gDry Ice: NoHazardous: No
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CAT#:0926-EYA47529Size:2.5 g
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CAS Number
579475-29-9
MDL Number
MFCD12033369
Smiles
C1CC1C2=NC=C (C=C2) Br
Molecular Formula
C8H8BrN
Molecular Weight
198.06 g/mol
Controlled
No

Chemical Information

5-Bromo-2-cyclopropylpyridine
CAS Number579475-29-9
PubChem CID22317722
IUPAC Name5-bromo-2-cyclopropylpyridine
Molecular FormulaC8H8BrN
Molecular Weight198.06
XLogP2.1
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity122
SMILES
C1CC1C2=NC=C(C=C2)Br
InChI
InChI=1S/C8H8BrN/c9-7-3-4-8(10-5-7)6-1-2-6/h3-6H,1-2H2
InChIKey
WLJWEZIWWHAIEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-2-cyclopropylpyridine
CAS: 579475-29-9
CID: 22317722
Formula: C8H8BrN
MW: 198.06
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight198.06
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass196.98401
Monoisotopic Mass196.98401
Topological Polar Surface Area12.9 Ų
Heavy Atom Count10
Formal Charge0
Complexity122
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