2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine

C10H9BrN4O2 — CID 47350151

IUPAC2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine
SMILESO=[N+]([O-])c1nn(CCc2ccccn2)cc1Br
InChIInChI=1S/C10H9BrN4O2/c11-9-7-14(13-10(9)15(16)17)6-4-8-3-1-2-5-12-8/h1-3,5,7H,4,6H2
InChIKeyGGMAPIUOCPMXLM-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.19
Rot. Bonds4

About 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine

2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine (PubChem CID 47350151) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine
PubChem CID47350151
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine
SMILESO=[N+]([O-])c1nn(CCc2ccccn2)cc1Br
InChIInChI=1S/C10H9BrN4O2/c11-9-7-14(13-10(9)15(16)17)6-4-8-3-1-2-5-12-8/h1-3,5,7H,4,6H2
InChIKeyGGMAPIUOCPMXLM-UHFFFAOYSA-N
XLogP2.19
TPSA73.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.19
H-Bond Donors ≤ 50
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'}

Analyze 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine (CID 47350151) is 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine is O=[N+]([O-])c1nn(CCc2ccccn2)cc1Br.
What is the InChIKey of 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine?
The InChIKey is GGMAPIUOCPMXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c11-9-7-14(13-10(9)15(16)17)6-4-8-3-1-2-5-12-8/h1-3,5,7H,4,6H2.
What are the key properties of 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine?
2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine has a molecular weight of 297.11 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine is sourced from PubChem (CID 47350151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).