3-nitropyrazolo[5,4-b]pyridin-1-ide

C6H3N4O2- — CID 86327326

IUPAC3-nitropyrazolo[5,4-b]pyridin-1-ide
SMILESO=[N+]([O-])c1n[n-]c2ncccc12
InChIInChI=1S/C6H3N4O2/c11-10(12)6-4-2-1-3-7-5(4)8-9-6/h1-3H/q-1
InChIKeyCHOJCSRVPSTMPL-UHFFFAOYSA-N
MW163.12 g/mol
LogP0.50
Rot. Bonds1

About 3-nitropyrazolo[5,4-b]pyridin-1-ide

3-nitropyrazolo[5,4-b]pyridin-1-ide (PubChem CID 86327326) has the molecular formula C6H3N4O2- and a molecular weight of 163.12 g/mol. Its IUPAC name is 3-nitropyrazolo[5,4-b]pyridin-1-ide.

Molecular Properties

Compound Name3-nitropyrazolo[5,4-b]pyridin-1-ide
PubChem CID86327326
Molecular FormulaC6H3N4O2-
Molecular Weight163.12 g/mol
Exact Mass163.03
IUPAC Name3-nitropyrazolo[5,4-b]pyridin-1-ide
SMILESO=[N+]([O-])c1n[n-]c2ncccc12
InChIInChI=1S/C6H3N4O2/c11-10(12)6-4-2-1-3-7-5(4)8-9-6/h1-3H/q-1
InChIKeyCHOJCSRVPSTMPL-UHFFFAOYSA-N
XLogP0.50
TPSA83.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.12
LogP ≤ 50.50
H-Bond Donors ≤ 50
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'}

Analyze 3-nitropyrazolo[5,4-b]pyridin-1-ide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-nitro-3-pyridinyl)methanol
CID 22416434
2,3-dinitropyridine;hydrazine
CID 175406944
3-ethynyl-2-nitropyridine
CID 57416834
N-methyl-2-nitropyridin-3-amine
CID 555983
3-methoxy-2-nitropyridine
CID 556063
N-methyl-3-nitropyridin-2-amine
CID 556349
3-methylsulfanyl-2-nitropyridine
CID 130771705
N-naphthalen-1-yl-3-nitropyridin-2-amine
CID 3725963
5,6-dinitroquinoline
CID 119087514
(1R)-1-(2-nitro-3-pyridinyl)butan-1-amine
CID 55262751
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
N-benzyl-2-nitropyridine-3-carboxamide
CID 19034724

Frequently Asked Questions

What is the IUPAC name of 3-nitropyrazolo[5,4-b]pyridin-1-ide?
The IUPAC name of 3-nitropyrazolo[5,4-b]pyridin-1-ide (CID 86327326) is 3-nitropyrazolo[5,4-b]pyridin-1-ide.
What is the SMILES notation for 3-nitropyrazolo[5,4-b]pyridin-1-ide?
The canonical SMILES for 3-nitropyrazolo[5,4-b]pyridin-1-ide is O=[N+]([O-])c1n[n-]c2ncccc12.
What is the InChIKey of 3-nitropyrazolo[5,4-b]pyridin-1-ide?
The InChIKey is CHOJCSRVPSTMPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3N4O2/c11-10(12)6-4-2-1-3-7-5(4)8-9-6/h1-3H/q-1.
What are the key properties of 3-nitropyrazolo[5,4-b]pyridin-1-ide?
3-nitropyrazolo[5,4-b]pyridin-1-ide has a molecular weight of 163.12 g/mol, XLogP of 0.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitropyrazolo[5,4-b]pyridin-1-ide is sourced from PubChem (CID 86327326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).