3-iodo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

3-iodo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

CAS: 1221288-26-1

Formula: C7H4IN3O2

SMILES: OC(=O)C1=CC2=C(I)NN=C2N=C1

IUPAC: 3-iodo-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid

InChI: InChI=1S/C7H4IN3O2/c8-5-4-1-3(7(12)13)2-9-6(4)11-10-5/h1-2H,(H,12,13)(H,9,10,11)

Composition: C (29.09%), H (1.39%), I (43.91%), N (14.54%), O (11.07%)

Molar Mass: 289.032

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	288.93482
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CUTUNPSLNLUDSY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.16
Topological Polar Surface Area	78.87
Polarizability	20.92
Ring Count	2
Rotatable Bond Count	1

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