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5-Chloro-2-hydroxypyridine

CAT: 0926-FC07270-01Size: 50 gDry Ice: NoHazardous: No
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CAT#:0926-FC07270-01Size:50 g
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CAS Number
4214-79-3
MDL Number
MFCD00006275
Smiles
C1=CC (=O) NC=C1Cl
Molecular Formula
C5H4ClNO
Molecular Weight
129.55 g/mol
Controlled
No

Chemical Information

5-Chloro-2-pyridone

structure in first source

CAS Number4214-79-3
PubChem CID77889
IUPAC Name5-chloro-1H-pyridin-2-one
Molecular FormulaC5H4ClNO
Molecular Weight129.54
XLogP0.6
Topological Polar Surface Area29.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity171
SMILES
C1=CC(=O)NC=C1Cl
InChI
InChI=1S/C5H4ClNO/c6-4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
SZFUWUOHDRMCKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-pyridone
CAS: 4214-79-3
CID: 77889
Formula: C5H4ClNO
MW: 129.54
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight129.54
XLogP30.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass128.9981414
Monoisotopic Mass128.9981414
Topological Polar Surface Area29.1 Ų
Heavy Atom Count8
Formal Charge0
Complexity171
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