4-methoxy-2-methyl-3-nitropyridine

C7H8N2O3 — CID 12661298

IUPAC4-methoxy-2-methyl-3-nitropyridine
SMILESCOc1ccnc(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-7(9(10)11)6(12-2)3-4-8-5/h3-4H,1-2H3
InChIKeyQMKKUDHFHJCQSS-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.31
Rot. Bonds2

About 4-methoxy-2-methyl-3-nitropyridine

4-methoxy-2-methyl-3-nitropyridine (PubChem CID 12661298) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-nitropyridine.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-nitropyridine
PubChem CID12661298
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-methoxy-2-methyl-3-nitropyridine
SMILESCOc1ccnc(C)c1[N+](=O)[O-]
InChIInChI=1S/C7H8N2O3/c1-5-7(9(10)11)6(12-2)3-4-8-5/h3-4H,1-2H3
InChIKeyQMKKUDHFHJCQSS-UHFFFAOYSA-N
XLogP1.31
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.31
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 4-methoxy-2-methyl-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

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-nitropyridine?
The IUPAC name of 4-methoxy-2-methyl-3-nitropyridine (CID 12661298) is 4-methoxy-2-methyl-3-nitropyridine.
What is the SMILES notation for 4-methoxy-2-methyl-3-nitropyridine?
The canonical SMILES for 4-methoxy-2-methyl-3-nitropyridine is COc1ccnc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methoxy-2-methyl-3-nitropyridine?
The InChIKey is QMKKUDHFHJCQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-7(9(10)11)6(12-2)3-4-8-5/h3-4H,1-2H3.
What are the key properties of 4-methoxy-2-methyl-3-nitropyridine?
4-methoxy-2-methyl-3-nitropyridine has a molecular weight of 168.15 g/mol, XLogP of 1.31, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-nitropyridine is sourced from PubChem (CID 12661298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).