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766515-33-7 | 5-Iodo-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS No: 766515-33-7 Catalog No: AG005AOU MDL No:MFCD09909381
Product Description
Catalog Number:
AG005AOU
Chemical Name:
5-Iodo-2-oxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
766515-33-7
Molecular Formula:
C6H3IN2O
Molecular Weight:
246.0053
MDL Number:
MFCD09909381
IUPAC Name:
5-iodo-2-oxo-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C6H3IN2O/c7-5-1-4(2-8)6(10)9-3-5/h1,3H,(H,9,10)
InChI Key:
DHNUUSNUUZTHEN-UHFFFAOYSA-N
SMILES:
Ic1cc(C#N)c(=O)[nH]c1
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.929g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.007g/mol
Monoisotopic Mass:
245.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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