3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine

3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine

CAS: 62908-83-2

Formula: C7H6N4O2

SMILES: CC1=C2C=C(C=NC2=NN1)[N+]([O-])=O

IUPAC: 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine

InChI: InChI=1S/C7H6N4O2/c1-4-6-2-5(11(12)13)3-8-7(6)10-9-4/h2-3H,1H3,(H,8,9,10)

Composition: C (47.19%), H (3.39%), N (31.45%), O (17.96%)

Molar Mass: 178.151

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	178.049075449
Formal Charge	0
FSP3	0.14
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VHUAFDKORZHXOD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.71
Topological Polar Surface Area	84.71
Polarizability	16.79
Ring Count	2
Rotatable Bond Count	1

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95%	<5 Days	62908-83-2		$199.24-$1,240.82$199.24$431.26$1,240.82