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159890-55-8 | 3-Pyridinecarboxamide, 6-amino-5-nitro-
CAS No: 159890-55-8 Catalog No: AG001RHD MDL No:
Product Description
Catalog Number:
AG001RHD
Chemical Name:
3-Pyridinecarboxamide, 6-amino-5-nitro-
CAS Number:
159890-55-8
Molecular Formula:
C6H6N4O3
Molecular Weight:
182.1368
IUPAC Name:
6-amino-5-nitropyridine-3-carboxamide
InChI:
InChI=1S/C6H6N4O3/c7-5-4(10(12)13)1-3(2-9-5)6(8)11/h1-2H,(H2,7,9)(H2,8,11)
InChI Key:
ULRAQWKBQNFNNX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cnc1N)C(=O)N
NSC Number:
523080
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.044g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.139g/mol
Monoisotopic Mass:
182.044g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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