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1332691-15-2 | 4-Pyridinol, 3-amino-5-iodo-
CAS No: 1332691-15-2 Catalog No: AG0014IO MDL No:MFCD19441942
Product Description
Catalog Number:
AG0014IO
Chemical Name:
4-Pyridinol, 3-amino-5-iodo-
CAS Number:
1332691-15-2
Molecular Formula:
C5H5IN2O
Molecular Weight:
236.0105
MDL Number:
MFCD19441942
IUPAC Name:
3-amino-5-iodo-1H-pyridin-4-one
InChI:
InChI=1S/C5H5IN2O/c6-3-1-8-2-4(7)5(3)9/h1-2H,7H2,(H,8,9)
InChI Key:
FDKKEVMHINEAIX-UHFFFAOYSA-N
SMILES:
Oc1c(N)cncc1I
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.945g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.012g/mol
Monoisotopic Mass:
235.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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