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3-Bromo-2-hydroxy-5-methylpyridine

CAT: 0127-OR3347-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR3347-01Size:1 g
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CAS Number
17282-02-9
Synonyms
3-Bromo-5-methylpyridin-2-ol, 5-Bromo-6-hydroxy-3-picoline
MDL Number
MFCD03791312
Purity
98%
Smiles
Cc1cnc(O)c(Br)c1

Chemical Information

3-Bromo-2-hydroxy-5-methylpyridine
CAS Number17282-02-9
PubChem CID3725261
IUPAC Name3-bromo-5-methyl-1H-pyridin-2-one
Molecular FormulaC6H6BrNO
Molecular Weight188.02
XLogP1
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity205
SMILES
CC1=CNC(=O)C(=C1)Br
InChI
InChI=1S/C6H6BrNO/c1-4-2-5(7)6(9)8-3-4/h2-3H,1H3,(H,8,9)
InChIKey
KHBRMXVUQOVORD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-2-hydroxy-5-methylpyridine
CAS: 17282-02-9
CID: 3725261
Formula: C6H6BrNO
MW: 188.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.02
XLogP31
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass186.96328
Monoisotopic Mass186.96328
Topological Polar Surface Area29.1 Ų
Heavy Atom Count9
Formal Charge0
Complexity205
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