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

C7H4N4O4 — CID 86207952

IUPAC5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C7H4N4O4/c12-7(13)5-4-1-3(11(14)15)2-8-6(4)10-9-5/h1-2H,(H,12,13)(H,8,9,10)
InChIKeyIKRZBWRXRGSIBG-UHFFFAOYSA-N
MW208.13 g/mol
LogP0.56
Rot. Bonds2

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

5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (PubChem CID 86207952) has the molecular formula C7H4N4O4 and a molecular weight of 208.13 g/mol. Its IUPAC name is 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
PubChem CID86207952
Molecular FormulaC7H4N4O4
Molecular Weight208.13 g/mol
Exact Mass208.02
IUPAC Name5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid
SMILESO=C(O)c1[nH]nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C7H4N4O4/c12-7(13)5-4-1-3(11(14)15)2-8-6(4)10-9-5/h1-2H,(H,12,13)(H,8,9,10)
InChIKeyIKRZBWRXRGSIBG-UHFFFAOYSA-N
XLogP0.56
TPSA122.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.13
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-nitro-3-(2,2,2-trifluoroethyl)-2H-pyrazolo[3,4-b]pyridine
CID 67089093
ethane;5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 143070523
N,N-dimethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 58227806
6-nitro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137302564
N,N-diethyl-5-nitro-1H-pyrazolo[5,4-b]pyridin-3-amine
CID 67088839
2-chloro-5-nitropyridine-3-carboxylic acid;ethane
CID 142859548
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-5-nitropyridine-3-carboxylic acid
CID 114046882
2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 171705544
3-hydroxy-5-nitropyridine-2-carbonitrile
CID 130776817
4-bromo-3-(3-nitrophenyl)-1H-pyrazole-5-carboxylic acid
CID 91902603
3-amino-5-nitrothieno[2,3-b]pyridine-2-carboxamide
CID 6611040
2-(ethylamino)-5-nitropyridine-3-carboxylic acid
CID 82470807

Frequently Asked Questions

What is the IUPAC name of 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid (CID 86207952) is 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is O=C(O)c1[nH]nc2ncc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
The InChIKey is IKRZBWRXRGSIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N4O4/c12-7(13)5-4-1-3(11(14)15)2-8-6(4)10-9-5/h1-2H,(H,12,13)(H,8,9,10).
What are the key properties of 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid?
5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid has a molecular weight of 208.13 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2H-pyrazolo[3,4-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 86207952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).