1-benzyl-4-phenylpyridin-1-ium chloride

C18H16ClN — CID 10468957

IUPAC1-benzyl-4-phenylpyridin-1-ium chloride
SMILES[Cl-].c1ccc(C[n+]2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N.ClH/c1-3-7-16(8-4-1)15-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h1-14H,15H2;1H/q+1;/p-1
InChIKeyBWXBOHMYQPSHJC-UHFFFAOYSA-M
MW281.79 g/mol
LogP0.69
Rot. Bonds3

About 1-benzyl-4-phenylpyridin-1-ium chloride

1-benzyl-4-phenylpyridin-1-ium chloride (PubChem CID 10468957) has the molecular formula C18H16ClN and a molecular weight of 281.79 g/mol. Its IUPAC name is 1-benzyl-4-phenylpyridin-1-ium chloride.

Molecular Properties

Compound Name1-benzyl-4-phenylpyridin-1-ium chloride
PubChem CID10468957
Molecular FormulaC18H16ClN
Molecular Weight281.79 g/mol
Exact Mass281.10
IUPAC Name1-benzyl-4-phenylpyridin-1-ium chloride
SMILES[Cl-].c1ccc(C[n+]2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C18H16N.ClH/c1-3-7-16(8-4-1)15-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h1-14H,15H2;1H/q+1;/p-1
InChIKeyBWXBOHMYQPSHJC-UHFFFAOYSA-M
XLogP0.69
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 50.69
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-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]-4-[1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 89253840
CID 139143907
CID 139143907
1-benzyl-4-(3-methylphenyl)pyridin-1-ium
CID 139731998
1-benzyl-4-[1-[[2-[[4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]methyl]phenyl]methyl]pyridin-1-ium-4-yl]pyridin-1-ium tetraperchlorate
CID 10819810
1-benzylpyridin-1-ium;copper
CID 175162288
4-phenyl-1-[2-(4-phenylpyridin-1-ium-1-yl)ethyl]pyridin-1-ium
CID 3650539
1-benzylpyridin-1-ium-4-amine bromide
CID 17255915
1-benzylpyridin-1-ium;ethane
CID 90840399
1-benzyl-4-(4-methylphenyl)pyridin-1-ium;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139731848
1,2-dibenzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium
CID 102266742
1-benzyl-4-(1-benzylpyrrol-3-yl)pyridin-1-ium
CID 144994507

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-phenylpyridin-1-ium chloride?
The IUPAC name of 1-benzyl-4-phenylpyridin-1-ium chloride (CID 10468957) is 1-benzyl-4-phenylpyridin-1-ium chloride.
What is the SMILES notation for 1-benzyl-4-phenylpyridin-1-ium chloride?
The canonical SMILES for 1-benzyl-4-phenylpyridin-1-ium chloride is [Cl-].c1ccc(C[n+]2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 1-benzyl-4-phenylpyridin-1-ium chloride?
The InChIKey is BWXBOHMYQPSHJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H16N.ClH/c1-3-7-16(8-4-1)15-19-13-11-18(12-14-19)17-9-5-2-6-10-17;/h1-14H,15H2;1H/q+1;/p-1.
What are the key properties of 1-benzyl-4-phenylpyridin-1-ium chloride?
1-benzyl-4-phenylpyridin-1-ium chloride has a molecular weight of 281.79 g/mol, XLogP of 0.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-phenylpyridin-1-ium chloride is sourced from PubChem (CID 10468957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).