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3-Bromo-5-hydroxy-2-picoline

CAT: 0127-OR914335-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR914335-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
186593-45-3
MDL Number
MFCD09839298
Purity
98%
Smiles
Cc1ncc(O)cc1Br

Chemical Information

5-Bromo-6-methylpyridin-3-ol
CAS Number186593-45-3
PubChem CID18458947
IUPAC Name5-bromo-6-methylpyridin-3-ol
Molecular FormulaC6H6BrNO
Molecular Weight188.02
XLogP1.6
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
CC1=C(C=C(C=N1)O)Br
InChI
InChI=1S/C6H6BrNO/c1-4-6(7)2-5(9)3-8-4/h2-3,9H,1H3
InChIKey
PMNMAKBXPOIUNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromo-6-methylpyridin-3-ol
CAS: 186593-45-3
CID: 18458947
Formula: C6H6BrNO
MW: 188.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight188.02
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass186.96328
Monoisotopic Mass186.96328
Topological Polar Surface Area33.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
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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