6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine

C10H10N4O3 — CID 113287000

IUPAC6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(-n2ccc(C)n2)n1
InChIInChI=1S/C10H10N4O3/c1-7-5-6-13(12-7)10-8(14(15)16)3-4-9(11-10)17-2/h3-6H,1-2H3
InChIKeyZVDYBWYNJZGGNA-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.49
Rot. Bonds3

About 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine

6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine (PubChem CID 113287000) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine.

Molecular Properties

Compound Name6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine
PubChem CID113287000
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine
SMILESCOc1ccc([N+](=O)[O-])c(-n2ccc(C)n2)n1
InChIInChI=1S/C10H10N4O3/c1-7-5-6-13(12-7)10-8(14(15)16)3-4-9(11-10)17-2/h3-6H,1-2H3
InChIKeyZVDYBWYNJZGGNA-UHFFFAOYSA-N
XLogP1.49
TPSA83.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine 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

6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813
1-methyl-3-(3-methylpyrazol-1-yl)-4-nitropyrazole
CID 103080568
6-(3-methylpyrazol-1-yl)-3-nitropyridin-2-amine
CID 79815731
1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
6-methoxy-3-nitro-2-(2-propylimidazol-1-yl)pyridine
CID 115323542
CID 157299402
CID 157299402
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
6-methoxy-N,N-dimethyl-3-nitropyridin-2-amine
CID 53407025
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115323328
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
The IUPAC name of 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine (CID 113287000) is 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine.
What is the SMILES notation for 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
The canonical SMILES for 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine is COc1ccc([N+](=O)[O-])c(-n2ccc(C)n2)n1.
What is the InChIKey of 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
The InChIKey is ZVDYBWYNJZGGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-7-5-6-13(12-7)10-8(14(15)16)3-4-9(11-10)17-2/h3-6H,1-2H3.
What are the key properties of 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine?
6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine has a molecular weight of 234.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-(3-methylpyrazol-1-yl)-3-nitropyridine is sourced from PubChem (CID 113287000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).