2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine

C18H14N2O3 — CID 141380203

IUPAC2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
SMILESCOc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)ccn2)cc1
InChIInChI=1S/C18H14N2O3/c1-23-17-8-4-14(5-9-17)18-12-15(10-11-19-18)13-2-6-16(7-3-13)20(21)22/h2-12H,1H3
InChIKeyPUMVDKHIPGFHOR-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.33
Rot. Bonds4

About 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine

2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine (PubChem CID 141380203) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
PubChem CID141380203
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine
SMILESCOc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)ccn2)cc1
InChIInChI=1S/C18H14N2O3/c1-23-17-8-4-14(5-9-17)18-12-15(10-11-19-18)13-2-6-16(7-3-13)20(21)22/h2-12H,1H3
InChIKeyPUMVDKHIPGFHOR-UHFFFAOYSA-N
XLogP4.33
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 54.33
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-methoxyphenyl)-4-(4-nitrophenyl)pyridine 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

1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
2,4,6-tris[4-(4-nitrophenoxy)phenyl]pyridine
CID 71623316
2-(4-methoxyphenyl)-6-nitro-4-phenylquinoline
CID 632059
2-amino-4-(4-methoxyphenyl)-6-(4-nitrophenyl)pyridine-3-carbonitrile
CID 793424
6-methoxy-2-(4-nitrophenyl)-1H-benzimidazole
CID 10563883
2-(4-methoxyphenyl)-3-(4-nitrophenyl)-2H-azirine
CID 102257808
(4-methoxyphenyl)-(4-nitrophenyl)imino-oxidoazanium
CID 15151138
4-(4-nitrophenyl)-2,6-diphenylpyridine
CID 631783
3-(4-methoxyphenyl)-1-(4-nitrophenyl)sulfonylpyrazol-5-amine
CID 46257924
2,4-dimethoxy-1-(4-nitrophenyl)benzene
CID 59205838
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
5-(4-methoxyphenyl)-2-(4-nitrophenyl)-1,3-oxazol-4-amine
CID 14269277

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine?
The IUPAC name of 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine (CID 141380203) is 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine?
The canonical SMILES for 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine is COc1ccc(-c2cc(-c3ccc([N+](=O)[O-])cc3)ccn2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine?
The InChIKey is PUMVDKHIPGFHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-17-8-4-14(5-9-17)18-12-15(10-11-19-18)13-2-6-16(7-3-13)20(21)22/h2-12H,1H3.
What are the key properties of 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine?
2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine has a molecular weight of 306.32 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-(4-nitrophenyl)pyridine is sourced from PubChem (CID 141380203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).