1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

C35H24FN3+2 — CID 145482144

IUPAC1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESCc1cc2[n+]3c(c1)-c1ccccc1C3([n+]1c(-c3ccccn3)cccc1-c1ccccc1F)c1ccccc1-2
InChIInChI=1S/C35H24FN3/c1-23-21-33-24-11-2-5-14-27(24)35(28-15-6-3-12-25(28)34(22-23)39(33)35)38-31(26-13-4-7-16-29(26)36)18-10-19-32(38)30-17-8-9-20-37-30/h2-22H,1H3/q+2
InChIKeyLPIXPNGTXHRZOL-UHFFFAOYSA-N
MW505.60 g/mol
LogP6.70
Rot. Bonds3

About 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene

1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (PubChem CID 145482144) has the molecular formula C35H24FN3+2 and a molecular weight of 505.60 g/mol. Its IUPAC name is 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.

Molecular Properties

Compound Name1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
PubChem CID145482144
Molecular FormulaC35H24FN3+2
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC Name1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
SMILESCc1cc2[n+]3c(c1)-c1ccccc1C3([n+]1c(-c3ccccn3)cccc1-c1ccccc1F)c1ccccc1-2
InChIInChI=1S/C35H24FN3/c1-23-21-33-24-11-2-5-14-27(24)35(28-15-6-3-12-25(28)34(22-23)39(33)35)38-31(26-13-4-7-16-29(26)36)18-10-19-32(38)30-17-8-9-20-37-30/h2-22H,1H3/q+2
InChIKeyLPIXPNGTXHRZOL-UHFFFAOYSA-N
XLogP6.70
TPSA20.65 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.60
LogP ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The IUPAC name of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene (CID 145482144) is 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene.
What is the SMILES notation for 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The canonical SMILES for 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is Cc1cc2[n+]3c(c1)-c1ccccc1C3([n+]1c(-c3ccccn3)cccc1-c1ccccc1F)c1ccccc1-2.
What is the InChIKey of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
The InChIKey is LPIXPNGTXHRZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24FN3/c1-23-21-33-24-11-2-5-14-27(24)35(28-15-6-3-12-25(28)34(22-23)39(33)35)38-31(26-13-4-7-16-29(26)36)18-10-19-32(38)30-17-8-9-20-37-30/h2-22H,1H3/q+2.
What are the key properties of 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene?
1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene has a molecular weight of 505.60 g/mol, XLogP of 6.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenyl)-6-pyridin-2-ylpyridin-1-ium-1-yl]-10-methyl-19-azoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene is sourced from PubChem (CID 145482144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).