4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine

C22H17N2O+ — CID 140885402

IUPAC4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine
SMILESCc1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)[o+]2)cc1
InChIInChI=1S/C22H17N2O/c1-16-2-4-18(5-3-16)21-14-20(17-6-10-23-11-7-17)15-22(25-21)19-8-12-24-13-9-19/h2-15H,1H3/q+1
InChIKeyROSDTDVGNMUEMK-UHFFFAOYSA-N
MW325.39 g/mol
LogP5.66
Rot. Bonds3

About 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine

4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine (PubChem CID 140885402) has the molecular formula C22H17N2O+ and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine
PubChem CID140885402
Molecular FormulaC22H17N2O+
Molecular Weight325.39 g/mol
Exact Mass325.13
IUPAC Name4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine
SMILESCc1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)[o+]2)cc1
InChIInChI=1S/C22H17N2O/c1-16-2-4-18(5-3-16)21-14-20(17-6-10-23-11-7-17)15-22(25-21)19-8-12-24-13-9-19/h2-15H,1H3/q+1
InChIKeyROSDTDVGNMUEMK-UHFFFAOYSA-N
XLogP5.66
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.39
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-tris(4-methylphenyl)pyrylium
CID 3723959
4-methylpyridine;4-pyridin-4-ylpyridine
CID 118057744
2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridine
CID 134692019
2-(4-methylphenyl)-4,6-diphenylpyrylium perchlorate
CID 12627136
4-[4-[7-[4-(4-methylphenyl)phenyl]naphthalen-2-yl]phenyl]pyridine
CID 170294286
2,4-bis(4-methylphenyl)-6-thiophen-3-ylpyrylium tetrafluoroborate
CID 153334323
3-methyl-5-(4-methylphenyl)pyridine;4-(4-methylphenyl)pyridine
CID 143453970
4-[4-[6-(3,5-dimethylphenyl)naphthalen-2-yl]phenyl]pyridine
CID 170289207
4-[2,6-bis(4-methylphenyl)-4-pyridin-4-ylpyridin-1-ium-1-yl]aniline
CID 131748891
2,4,6-tris(4-bromophenyl)pyrylium
CID 11365661
ethane;4-pyridin-4-ylpyridine
CID 142013036
5-(4-methylphenyl)-10,15,20-tripyridin-4-yl-21,22,23,24-tetrahydroporphyrin
CID 91460206

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine?
The IUPAC name of 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine (CID 140885402) is 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine.
What is the SMILES notation for 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine?
The canonical SMILES for 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine is Cc1ccc(-c2cc(-c3ccncc3)cc(-c3ccncc3)[o+]2)cc1.
What is the InChIKey of 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine?
The InChIKey is ROSDTDVGNMUEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N2O/c1-16-2-4-18(5-3-16)21-14-20(17-6-10-23-11-7-17)15-22(25-21)19-8-12-24-13-9-19/h2-15H,1H3/q+1.
What are the key properties of 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine?
4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine has a molecular weight of 325.39 g/mol, XLogP of 5.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylphenyl)-6-pyridin-4-ylpyrylium-4-yl]pyridine is sourced from PubChem (CID 140885402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).