3-(4-methylphenyl)-4-nitropyridine

C12H10N2O2 — CID 70804382

IUPAC3-(4-methylphenyl)-4-nitropyridine
SMILESCc1ccc(-c2cnccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O2/c1-9-2-4-10(5-3-9)11-8-13-7-6-12(11)14(15)16/h2-8H,1H3
InChIKeyMXDVGGCDTHQABZ-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.97
Rot. Bonds2

About 3-(4-methylphenyl)-4-nitropyridine

3-(4-methylphenyl)-4-nitropyridine (PubChem CID 70804382) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-(4-methylphenyl)-4-nitropyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-4-nitropyridine
PubChem CID70804382
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name3-(4-methylphenyl)-4-nitropyridine
SMILESCc1ccc(-c2cnccc2[N+](=O)[O-])cc1
InChIInChI=1S/C12H10N2O2/c1-9-2-4-10(5-3-9)11-8-13-7-6-12(11)14(15)16/h2-8H,1H3
InChIKeyMXDVGGCDTHQABZ-UHFFFAOYSA-N
XLogP2.97
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4-methylphenyl)-4-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 3-(4-methylphenyl)-4-nitropyridine?
The IUPAC name of 3-(4-methylphenyl)-4-nitropyridine (CID 70804382) is 3-(4-methylphenyl)-4-nitropyridine.
What is the SMILES notation for 3-(4-methylphenyl)-4-nitropyridine?
The canonical SMILES for 3-(4-methylphenyl)-4-nitropyridine is Cc1ccc(-c2cnccc2[N+](=O)[O-])cc1.
What is the InChIKey of 3-(4-methylphenyl)-4-nitropyridine?
The InChIKey is MXDVGGCDTHQABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-9-2-4-10(5-3-9)11-8-13-7-6-12(11)14(15)16/h2-8H,1H3.
What are the key properties of 3-(4-methylphenyl)-4-nitropyridine?
3-(4-methylphenyl)-4-nitropyridine has a molecular weight of 214.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-4-nitropyridine is sourced from PubChem (CID 70804382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).