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2-Bromo-3-hydroxy-6-methylpyridine

CAT: 0127-OR51776-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR51776-01Size:1 g
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CAS Number
23003-35-2
Synonyms
2-Bromo-6-methylpyridin-3-ol, 6-Bromo-5-hydroxy-2-picoline
MDL Number
MFCD06655956
Purity
98%
Smiles
Cc1ccc(O)c(Br)n1

Chemical Information

2-Bromo-6-methylpyridin-3-ol
CAS Number23003-35-2
PubChem CID11959101
IUPAC Name2-bromo-6-methylpyridin-3-ol
Molecular FormulaC6H6BrNO
Molecular Weight188.02
XLogP1.9
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
CC1=NC(=C(C=C1)O)Br
InChI
InChI=1S/C6H6BrNO/c1-4-2-3-5(9)6(7)8-4/h2-3,9H,1H3
InChIKey
UHMANLXCLQNQJD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-6-methylpyridin-3-ol
CAS: 23003-35-2
CID: 11959101
Formula: C6H6BrNO
MW: 188.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight188.02
XLogP31.9
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