1-benzyl-4-(3-methylphenyl)pyridin-1-ium

C19H18N+ — CID 139731998

IUPAC1-benzyl-4-(3-methylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2cc[n+](Cc3ccccc3)cc2)c1
InChIInChI=1S/C19H18N/c1-16-6-5-9-19(14-16)18-10-12-20(13-11-18)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3/q+1
InChIKeyLKCQVNQLHDFCTP-UHFFFAOYSA-N
MW260.36 g/mol
LogP4.00
Rot. Bonds3

About 1-benzyl-4-(3-methylphenyl)pyridin-1-ium

1-benzyl-4-(3-methylphenyl)pyridin-1-ium (PubChem CID 139731998) has the molecular formula C19H18N+ and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-benzyl-4-(3-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name1-benzyl-4-(3-methylphenyl)pyridin-1-ium
PubChem CID139731998
Molecular FormulaC19H18N+
Molecular Weight260.36 g/mol
Exact Mass260.14
IUPAC Name1-benzyl-4-(3-methylphenyl)pyridin-1-ium
SMILESCc1cccc(-c2cc[n+](Cc3ccccc3)cc2)c1
InChIInChI=1S/C19H18N/c1-16-6-5-9-19(14-16)18-10-12-20(13-11-18)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3/q+1
InChIKeyLKCQVNQLHDFCTP-UHFFFAOYSA-N
XLogP4.00
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-azulen-2-yl-1-benzylpyridin-1-ium
CID 139730887
1-benzyl-4-phenylpyridin-1-ium chloride
CID 10468957
1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 58879503
ethane;1-methyl-3-phenylbenzene
CID 142040878
1-benzyl-4-(4-methylphenyl)pyridin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139731848
1-(3,5-diphenylphenyl)-3-(3-methylphenyl)-5-phenylbenzene
CID 123283333
1-(3-methylphenyl)-3-phenyl-5-(3-phenylphenyl)benzene
CID 123280286
ethane;1-methyl-3-(3-phenylphenyl)benzene
CID 163289488
ethane;1-methyl-3-[4-(4-phenylphenyl)phenyl]benzene
CID 142439051
ethane;methane;1-methyl-3-phenylbenzene
CID 144644852
methanamine;1-methyl-3-phenylbenzene
CID 145414985
1-methyl-3-[3-[3-(4-phenylphenyl)phenyl]phenyl]benzene
CID 153438411

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-(3-methylphenyl)pyridin-1-ium?
The IUPAC name of 1-benzyl-4-(3-methylphenyl)pyridin-1-ium (CID 139731998) is 1-benzyl-4-(3-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 1-benzyl-4-(3-methylphenyl)pyridin-1-ium?
The canonical SMILES for 1-benzyl-4-(3-methylphenyl)pyridin-1-ium is Cc1cccc(-c2cc[n+](Cc3ccccc3)cc2)c1.
What is the InChIKey of 1-benzyl-4-(3-methylphenyl)pyridin-1-ium?
The InChIKey is LKCQVNQLHDFCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N/c1-16-6-5-9-19(14-16)18-10-12-20(13-11-18)15-17-7-3-2-4-8-17/h2-14H,15H2,1H3/q+1.
What are the key properties of 1-benzyl-4-(3-methylphenyl)pyridin-1-ium?
1-benzyl-4-(3-methylphenyl)pyridin-1-ium has a molecular weight of 260.36 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-(3-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 139731998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).