1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium

C24H19N2O+ — CID 164798219

IUPAC1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium
SMILESCc1ccc2c(oc3ccccc32)c1-c1ccc(-c2ccccn2)c[n+]1C
InChIInChI=1S/C24H19N2O/c1-16-10-12-19-18-7-3-4-9-22(18)27-24(19)23(16)21-13-11-17(15-26(21)2)20-8-5-6-14-25-20/h3-15H,1-2H3/q+1
InChIKeyMRYWFJOWZGSHPH-UHFFFAOYSA-N
MW351.43 g/mol
LogP5.45
Rot. Bonds2

About 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium

1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium (PubChem CID 164798219) has the molecular formula C24H19N2O+ and a molecular weight of 351.43 g/mol. Its IUPAC name is 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium.

Molecular Properties

Compound Name1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium
PubChem CID164798219
Molecular FormulaC24H19N2O+
Molecular Weight351.43 g/mol
Exact Mass351.15
IUPAC Name1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium
SMILESCc1ccc2c(oc3ccccc32)c1-c1ccc(-c2ccccn2)c[n+]1C
InChIInChI=1S/C24H19N2O/c1-16-10-12-19-18-7-3-4-9-22(18)27-24(19)23(16)21-13-11-17(15-26(21)2)20-8-5-6-14-25-20/h3-15H,1-2H3/q+1
InChIKeyMRYWFJOWZGSHPH-UHFFFAOYSA-N
XLogP5.45
TPSA29.91 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-8-(1-methyl-5-pyridin-2-ylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 140777913
2-(3-methyldibenzofuran-4-yl)pyridine
CID 118074682
1-methyl-2-(7-methyl-10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1,3(11),4(9),5,7,12,14,16,18-nonaen-8-yl)-5-(trideuteriomethyl)pyridin-1-ium
CID 153418212
1-methyl-2-(2-methyl-[1]benzofuro[3,2-b][1]benzofuran-1-yl)pyrimidin-1-ium
CID 140828050
2-(1,3-dimethyldibenzofuran-4-yl)-1,5-dimethylpyridin-1-ium;1,4,5-trimethyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium
CID 158855776
2-(7-isocyano-3-methyldibenzofuran-4-yl)-1-methyl-5-phenylpyridin-1-ium
CID 154615342
7-methyl-6-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[3,2-b]pyridine
CID 123481860
5-[5-(1,1-dideuterio-2,2-dimethylpropyl)-2-pyridinyl]-1-methyl-2-(9-methylnaphtho[2,1-b][1]benzofuran-8-yl)pyridin-1-ium
CID 166044162
2-(2-methyl-[1]benzothiolo[3,2-b][1]benzofuran-1-yl)pyridine
CID 170112879
11-[1-methyl-6-(3-methyldibenzofuran-4-yl)pyridin-1-ium-3-yl]-8,14-diphenyl-8,14-diaza-1-borapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9,11,13(21),15,17,19-nonaene
CID 177263779
1-methyl-2-(3-methyldibenzofuran-4-yl)-4-phenylpyridin-1-ium
CID 123854314
bis(1,4-dimethyl-2-(2-methylphenyl)-5-phenylpyridin-1-ium);1-methyl-2-(3-methyldibenzofuran-4-yl)pyridin-1-ium;7-methyl-8-(1-methylpyridin-1-ium-2-yl)-[1]benzofuro[2,3-b]pyridine
CID 160532980

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium?
The IUPAC name of 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium (CID 164798219) is 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium.
What is the SMILES notation for 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium?
The canonical SMILES for 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium is Cc1ccc2c(oc3ccccc32)c1-c1ccc(-c2ccccn2)c[n+]1C.
What is the InChIKey of 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium?
The InChIKey is MRYWFJOWZGSHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N2O/c1-16-10-12-19-18-7-3-4-9-22(18)27-24(19)23(16)21-13-11-17(15-26(21)2)20-8-5-6-14-25-20/h3-15H,1-2H3/q+1.
What are the key properties of 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium?
1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium has a molecular weight of 351.43 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(3-methyldibenzofuran-4-yl)-5-pyridin-2-ylpyridin-1-ium is sourced from PubChem (CID 164798219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).