2-methoxy-3-methyl-5-nitropyridine

C7H8N2O3 — CID 40786904

IUPAC2-methoxy-3-methyl-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C7H8N2O3/c1-5-3-6(9(10)11)4-8-7(5)12-2/h3-4H,1-2H3
InChIKeyHEDKXDCXKNQWEX-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.31
Rot. Bonds2

About 2-methoxy-3-methyl-5-nitropyridine

2-methoxy-3-methyl-5-nitropyridine (PubChem CID 40786904) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 2-methoxy-3-methyl-5-nitropyridine.

Molecular Properties

Compound Name2-methoxy-3-methyl-5-nitropyridine
PubChem CID40786904
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name2-methoxy-3-methyl-5-nitropyridine
SMILESCOc1ncc([N+](=O)[O-])cc1C
InChIInChI=1S/C7H8N2O3/c1-5-3-6(9(10)11)4-8-7(5)12-2/h3-4H,1-2H3
InChIKeyHEDKXDCXKNQWEX-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-methyl-5-nitropyridine?
The IUPAC name of 2-methoxy-3-methyl-5-nitropyridine (CID 40786904) is 2-methoxy-3-methyl-5-nitropyridine.
What is the SMILES notation for 2-methoxy-3-methyl-5-nitropyridine?
The canonical SMILES for 2-methoxy-3-methyl-5-nitropyridine is COc1ncc([N+](=O)[O-])cc1C.
What is the InChIKey of 2-methoxy-3-methyl-5-nitropyridine?
The InChIKey is HEDKXDCXKNQWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-5-3-6(9(10)11)4-8-7(5)12-2/h3-4H,1-2H3.
What are the key properties of 2-methoxy-3-methyl-5-nitropyridine?
2-methoxy-3-methyl-5-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 2-methoxy-3-methyl-5-nitropyridine is sourced from PubChem (CID 40786904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).