4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium

C19H16Cl2N+ — CID 8860257

IUPAC4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium
SMILESClc1ccc(C[n+]2ccc(Cc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C19H16Cl2N/c20-18-7-6-17(19(21)13-18)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2/q+1
InChIKeyKYRAYZLUWKQDQJ-UHFFFAOYSA-N
MW329.25 g/mol
LogP4.92
Rot. Bonds4

About 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium

4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium (PubChem CID 8860257) has the molecular formula C19H16Cl2N+ and a molecular weight of 329.25 g/mol. Its IUPAC name is 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium.

Molecular Properties

Compound Name4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium
PubChem CID8860257
Molecular FormulaC19H16Cl2N+
Molecular Weight329.25 g/mol
Exact Mass328.07
IUPAC Name4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium
SMILESClc1ccc(C[n+]2ccc(Cc3ccccc3)cc2)c(Cl)c1
InChIInChI=1S/C19H16Cl2N/c20-18-7-6-17(19(21)13-18)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2/q+1
InChIKeyKYRAYZLUWKQDQJ-UHFFFAOYSA-N
XLogP4.92
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.25
LogP ≤ 54.92
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

2-benzyl-1-(bromomethyl)-4-chlorobenzene
CID 154112430
N-[(2,4-dichlorophenyl)methyl]-N-methyl-1-phenylmethanamine
CID 4542426
4-benzyl-1-[(2-methoxyphenyl)methyl]pyridin-1-ium
CID 8860166
4-benzyl-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]pyridin-1-ium
CID 36583122
2-(2-benzyl-5-chlorophenyl)acetonitrile
CID 154091984
2-benzyl-5-chlorobenzaldehyde
CID 121230690
N-[(2,4-dichlorophenyl)methyl]-3-phenylpropan-1-amine
CID 30053289
4-[(2,4-dichlorophenyl)methyl]aniline
CID 116926043
4-benzyl-1-(pyridin-2-ylmethyl)pyridin-1-ium
CID 910896
1-benzyl-3,5-dichlorobenzene;methane
CID 144850589
N-benzyl-2-chloro-N-[(2,4-dichlorophenyl)methyl]ethanamine
CID 63389500
4-benzyl-1-propylpyridin-1-ium iodide
CID 17385788

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium?
The IUPAC name of 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium (CID 8860257) is 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium.
What is the SMILES notation for 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium?
The canonical SMILES for 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium is Clc1ccc(C[n+]2ccc(Cc3ccccc3)cc2)c(Cl)c1.
What is the InChIKey of 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium?
The InChIKey is KYRAYZLUWKQDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N/c20-18-7-6-17(19(21)13-18)14-22-10-8-16(9-11-22)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2/q+1.
What are the key properties of 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium?
4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium has a molecular weight of 329.25 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-[(2,4-dichlorophenyl)methyl]pyridin-1-ium is sourced from PubChem (CID 8860257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).