2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium

C18H15NO — CID 102232410

IUPAC2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium
SMILESCc1ccc(-c2ccc(-c3ccccc3)c[n+]2[O-])cc1
InChIInChI=1S/C18H15NO/c1-14-7-9-16(10-8-14)18-12-11-17(13-19(18)20)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyGUGZMVBAWPZIMZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium

2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium (PubChem CID 102232410) has the molecular formula C18H15NO and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium
PubChem CID102232410
Molecular FormulaC18H15NO
Molecular Weight261.32 g/mol
Exact Mass261.12
IUPAC Name2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium
SMILESCc1ccc(-c2ccc(-c3ccccc3)c[n+]2[O-])cc1
InChIInChI=1S/C18H15NO/c1-14-7-9-16(10-8-14)18-12-11-17(13-19(18)20)15-5-3-2-4-6-15/h2-13H,1H3
InChIKeyGUGZMVBAWPZIMZ-UHFFFAOYSA-N
XLogP3.96
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-methylphenyl)-1-oxidopyridin-1-ium
CID 3799488
ethane;1-methyl-4-[4-(4-phenylphenyl)phenyl]benzene
CID 142405863
ethane;bis(1-methyl-4-phenylbenzene);bis(1,4-xylene)
CID 159318661
ethane;1-methyl-4-phenylbenzene;toluene
CID 159803578
ethane;1-methyl-4-phenylbenzene;toluene
CID 157456524
ethane;methane;1-methyl-4-phenylbenzene
CID 143611995
1,1'-biphenyl;toluene
CID 18366440
1-methyl-4-[4-(4-phenylphenyl)sulfonylphenyl]benzene
CID 58526721
1-methyl-4-(4-phenylphenyl)sulfonylbenzene
CID 2801718
2-(1-oxido-5-phenylpyridin-1-ium-2-yl)propan-2-ol
CID 173061310
1-(4-methylphenyl)-3,5-bis(4-phenylphenyl)benzene
CID 142935427
dimethylphosphane;1-methyl-4-phenylbenzene
CID 143300886

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium?
The IUPAC name of 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium (CID 102232410) is 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium.
What is the SMILES notation for 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium?
The canonical SMILES for 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium is Cc1ccc(-c2ccc(-c3ccccc3)c[n+]2[O-])cc1.
What is the InChIKey of 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium?
The InChIKey is GUGZMVBAWPZIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO/c1-14-7-9-16(10-8-14)18-12-11-17(13-19(18)20)15-5-3-2-4-6-15/h2-13H,1H3.
What are the key properties of 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium?
2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium has a molecular weight of 261.32 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1-oxido-5-phenylpyridin-1-ium is sourced from PubChem (CID 102232410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).