4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine

C18H14N2O3 — CID 15453442

IUPAC4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O3/c1-23-18-6-5-14(13-7-9-19-10-8-13)12-17(18)15-3-2-4-16(11-15)20(21)22/h2-12H,1H3
InChIKeyKQQFECLVJFVWOZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP4.33
Rot. Bonds4

About 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine

4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine (PubChem CID 15453442) has the molecular formula C18H14N2O3 and a molecular weight of 306.32 g/mol. Its IUPAC name is 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
PubChem CID15453442
Molecular FormulaC18H14N2O3
Molecular Weight306.32 g/mol
Exact Mass306.10
IUPAC Name4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine
SMILESCOc1ccc(-c2ccncc2)cc1-c1cccc([N+](=O)[O-])c1
InChIInChI=1S/C18H14N2O3/c1-23-18-6-5-14(13-7-9-19-10-8-13)12-17(18)15-3-2-4-16(11-15)20(21)22/h2-12H,1H3
InChIKeyKQQFECLVJFVWOZ-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'}

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Related Compounds

4-[4-methoxy-3-(3-nitrophenyl)phenyl]benzamide
CID 18476102
1,1-dimethoxyethane;4-(3-nitrophenyl)pyridine
CID 139939427
nitric acid;4-(3-nitrophenyl)pyridine
CID 71334650
2-methoxy-4-nitro-1-(3-nitrophenyl)benzene
CID 91596770
4-methoxy-3-(3-nitrophenyl)benzoyl chloride
CID 118072392
2-[4-methoxy-3-(3-nitrophenyl)phenyl]acetonitrile
CID 68788538
3-[4-methoxy-3-(3-nitrophenyl)phenyl]butan-1-amine
CID 82542490
3-methoxy-4-(3-nitrophenyl)phenol
CID 24767500
3-methoxy-2-(3-nitrophenyl)-6-phenylpyridine
CID 11077630
2-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]phenol
CID 68788738
4-methoxy-7-(3-nitrophenyl)-1,3-benzothiazole
CID 141045285
3-[[4-methoxy-3-(3-nitrophenyl)phenyl]methyl]-1H-pyridazin-6-one
CID 58019968

Frequently Asked Questions

What is the IUPAC name of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine?
The IUPAC name of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine (CID 15453442) is 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine.
What is the SMILES notation for 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine?
The canonical SMILES for 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine is COc1ccc(-c2ccncc2)cc1-c1cccc([N+](=O)[O-])c1.
What is the InChIKey of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine?
The InChIKey is KQQFECLVJFVWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3/c1-23-18-6-5-14(13-7-9-19-10-8-13)12-17(18)15-3-2-4-16(11-15)20(21)22/h2-12H,1H3.
What are the key properties of 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine?
4-[4-methoxy-3-(3-nitrophenyl)phenyl]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 4-[4-methoxy-3-(3-nitrophenyl)phenyl]pyridine is sourced from PubChem (CID 15453442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).