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Home > Nitro Compounds > 1458593-49-1
1458593-49-1 | 2-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine
CAS No: 1458593-49-1 Catalog No: AG01AOSU MDL No:MFCD28155606
Product Description
Catalog Number:
AG01AOSU
Chemical Name:
2-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine
CAS Number:
1458593-49-1
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD28155606
IUPAC Name:
2-methyl-5-nitropyrazolo[3,4-b]pyridine
InChI:
InChI=1S/C7H6N4O2/c1-10-4-5-2-6(11(12)13)3-8-7(5)9-10/h2-4H,1H3
InChI Key:
YRLGRBFIJYZBRV-UHFFFAOYSA-N
SMILES:
Cn1nc2c(c1)cc(cn2)[N+](=O)[O-]
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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