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2,4-Dihydroxypyridine

CAT: 0572-TRC-D454590-5GSize: 5 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-D454590-5GSize:5 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
626-03-9
Hazard Statement
No Data Available
Smiles
Oc1ccnc(O)c1
Molecular Formula
C5 H5 N O2
Molecular Weight
111.1
InChI
InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
Additionnal Information
IUPAC name: pyridine-2,4-diol
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

4-Hydroxy-2(1H)-pyridinone

2,4-Dihydroxypyridine is a pyridone.

CAS Number626-03-9
PubChem CID54696004
IUPAC Name4-hydroxy-1H-pyridin-2-one
Molecular FormulaC5H5NO2
Molecular Weight111.10
XLogP-0.4
Topological Polar Surface Area49.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity169
SMILES
C1=CNC(=O)C=C1O
InChI
InChI=1S/C5H5NO2/c7-4-1-2-6-5(8)3-4/h1-3H,(H2,6,7,8)
InChIKey
ZEZJPIDPVXJEME-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy-2(1H)-pyridinone
CAS: 626-03-9
CID: 54696004
Formula: C5H5NO2
MW: 111.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.10
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass111.032028402
Monoisotopic Mass111.032028402
Topological Polar Surface Area49.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity169
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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