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Home > Nitro Compounds > 89247-06-3
89247-06-3 | 3-Pyridinecarboxamide, 1,6-dihydro-4-hydroxy-5-nitro-6-oxo-
CAS No: 89247-06-3 Catalog No: AG004263 MDL No:
Product Description
Catalog Number:
AG004263
Chemical Name:
3-Pyridinecarboxamide, 1,6-dihydro-4-hydroxy-5-nitro-6-oxo-
CAS Number:
89247-06-3
Molecular Formula:
C6H5N3O5
Molecular Weight:
199.1210
IUPAC Name:
4-hydroxy-5-nitro-6-oxo-1H-pyridine-3-carboxamide
InChI:
InChI=1S/C6H5N3O5/c7-5(11)2-1-8-6(12)3(4(2)10)9(13)14/h1H,(H2,7,11)(H2,8,10,12)
InChI Key:
TUIUMGHPROMFOD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(=O)[nH]cc(c1O)C(=O)N
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
199.122g/mol
Monoisotopic Mass:
199.023g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
138A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.2
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