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

C7H6N4O2 — CID 13371319

IUPAC3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine
SMILESCc1[nH]nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C7H6N4O2/c1-4-6-2-5(11(12)13)3-8-7(6)10-9-4/h2-3H,1H3,(H,8,9,10)
InChIKeyVHUAFDKORZHXOD-UHFFFAOYSA-N
MW178.15 g/mol
LogP1.17
Rot. Bonds1

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

3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine (PubChem CID 13371319) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine
PubChem CID13371319
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine
SMILESCc1[nH]nc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C7H6N4O2/c1-4-6-2-5(11(12)13)3-8-7(6)10-9-4/h2-3H,1H3,(H,8,9,10)
InChIKeyVHUAFDKORZHXOD-UHFFFAOYSA-N
XLogP1.17
TPSA84.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine (CID 13371319) is 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine is Cc1[nH]nc2ncc([N+](=O)[O-])cc12.
What is the InChIKey of 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is VHUAFDKORZHXOD-UHFFFAOYSA-N. The full InChI is 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).
What are the key properties of 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine?
3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 178.15 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-nitro-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 13371319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).