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2-Bromo-5-hydroxypyridine

CAT: 0127-OR4713-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR4713-01Size:5 g
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CAS Number
55717-45-8
Synonyms
6-Bromopyridin-3-ol
MDL Number
MFCD04114184
Purity
98%
Smiles
Oc1ccc(Br)nc1

Chemical Information

2-Bromo-5-hydroxypyridine
CAS Number55717-45-8
PubChem CID2762865
IUPAC Name6-bromopyridin-3-ol
Molecular FormulaC5H4BrNO
Molecular Weight174.00
XLogP1.5
Topological Polar Surface Area33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity78
SMILES
C1=CC(=NC=C1O)Br
InChI
InChI=1S/C5H4BrNO/c6-5-2-1-4(8)3-7-5/h1-3,8H
InChIKey
PTEFNEALEPSHLC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-hydroxypyridine
CAS: 55717-45-8
CID: 2762865
Formula: C5H4BrNO
MW: 174.00
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight174.00
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass172.94763
Monoisotopic Mass172.94763
Topological Polar Surface Area33.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity78.8
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