2-(4-methylphenoxy)-5-nitropyridine

C12H10N2O3 — CID 2933287

IUPAC2-(4-methylphenoxy)-5-nitropyridine
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H10N2O3/c1-9-2-5-11(6-3-9)17-12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
InChIKeyONTZDECKXDXHIZ-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.09
Rot. Bonds3

About 2-(4-methylphenoxy)-5-nitropyridine

2-(4-methylphenoxy)-5-nitropyridine (PubChem CID 2933287) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-5-nitropyridine.

Molecular Properties

Compound Name2-(4-methylphenoxy)-5-nitropyridine
PubChem CID2933287
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(4-methylphenoxy)-5-nitropyridine
SMILESCc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1
InChIInChI=1S/C12H10N2O3/c1-9-2-5-11(6-3-9)17-12-7-4-10(8-13-12)14(15)16/h2-8H,1H3
InChIKeyONTZDECKXDXHIZ-UHFFFAOYSA-N
XLogP3.09
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.09
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 2-(4-methylphenoxy)-5-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 2-(4-methylphenoxy)-5-nitropyridine?
The IUPAC name of 2-(4-methylphenoxy)-5-nitropyridine (CID 2933287) is 2-(4-methylphenoxy)-5-nitropyridine.
What is the SMILES notation for 2-(4-methylphenoxy)-5-nitropyridine?
The canonical SMILES for 2-(4-methylphenoxy)-5-nitropyridine is Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-5-nitropyridine?
The InChIKey is ONTZDECKXDXHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-9-2-5-11(6-3-9)17-12-7-4-10(8-13-12)14(15)16/h2-8H,1H3.
What are the key properties of 2-(4-methylphenoxy)-5-nitropyridine?
2-(4-methylphenoxy)-5-nitropyridine has a molecular weight of 230.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-5-nitropyridine is sourced from PubChem (CID 2933287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).