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4-Hydroxypyridine

CAT: 0926-FH02024-01Size: 0.25 kgDry Ice: NoHazardous: No
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CAT#:0926-FH02024-01Size:0.25 kg
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CAS Number
626-64-2
MDL Number
MFCD00006419
Smiles
C1=CNC=CC1=O
Molecular Formula
C5H5NO
Molecular Weight
95.1 g/mol
Controlled
No

Chemical Information

4-Hydroxypyridine

4-pyridone is the simplest member of the class of pyridin-4-ones, that is 1,4-dihydropyridine in which the hydrogens at position 4 have been replaced by an oxo group. It is a tautomer of a 4-hydroxypyridine.

CAS Number626-64-2
PubChem CID12290
IUPAC Name1H-pyridin-4-one
Molecular FormulaC5H5NO
Molecular Weight95.10
XLogP-1.3
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity121
SMILES
C1=CNC=CC1=O
InChI
InChI=1S/C5H5NO/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKey
GCNTZFIIOFTKIY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxypyridine
CAS: 626-64-2
CID: 12290
Formula: C5H5NO
MW: 95.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight95.10
XLogP3-1.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass95.037113783
Monoisotopic Mass95.037113783
Topological Polar Surface Area29.1 Ų
Heavy Atom Count7
Formal Charge0
Complexity121
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