4-(4-chlorophenyl)-1-propylpyridin-1-ium

C14H15ClN+ — CID 123750800

IUPAC4-(4-chlorophenyl)-1-propylpyridin-1-ium
SMILESCCC[n+]1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN/c1-2-9-16-10-7-13(8-11-16)12-3-5-14(15)6-4-12/h3-8,10-11H,2,9H2,1H3/q+1
InChIKeyKFMAHFYXQAWXQA-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.70
Rot. Bonds3

About 4-(4-chlorophenyl)-1-propylpyridin-1-ium

4-(4-chlorophenyl)-1-propylpyridin-1-ium (PubChem CID 123750800) has the molecular formula C14H15ClN+ and a molecular weight of 232.73 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-propylpyridin-1-ium.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-propylpyridin-1-ium
PubChem CID123750800
Molecular FormulaC14H15ClN+
Molecular Weight232.73 g/mol
Exact Mass232.09
IUPAC Name4-(4-chlorophenyl)-1-propylpyridin-1-ium
SMILESCCC[n+]1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C14H15ClN/c1-2-9-16-10-7-13(8-11-16)12-3-5-14(15)6-4-12/h3-8,10-11H,2,9H2,1H3/q+1
InChIKeyKFMAHFYXQAWXQA-UHFFFAOYSA-N
XLogP3.70
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.70
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

1-(2-bromoethyl)-4-(1-propylpyridin-1-ium-4-yl)pyridin-1-ium
CID 15596913
4-(4-chlorophenyl)-1-methylpyridin-1-ium
CID 24799632
1-butyl-4-chloropyridin-1-ium
CID 139697464
N,N-diphenyl-4-(1-propylpyridin-1-ium-4-yl)aniline
CID 174176306
4-methyl-1-propylpyridin-1-ium iodide
CID 15904240
CID 101433073
CID 101433073
1-butyl-4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium diperchlorate
CID 71360059
4-propan-2-yl-1-propylpyridin-1-ium
CID 69410070
4-methyl-1-propylpyridin-1-ium cyanide
CID 171571346
1-tetradecyl-4-[1-[4-[4-(1-tetradecylpyridin-1-ium-4-yl)pyridin-1-ium-1-yl]butyl]pyridin-1-ium-4-yl]pyridin-1-ium
CID 102224171
1-propylpyridin-1-ium-4-amine bromide
CID 13073422
1-methyl-4-(1-undecylpyridin-1-ium-4-yl)pyridin-1-ium
CID 68546640

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-propylpyridin-1-ium?
The IUPAC name of 4-(4-chlorophenyl)-1-propylpyridin-1-ium (CID 123750800) is 4-(4-chlorophenyl)-1-propylpyridin-1-ium.
What is the SMILES notation for 4-(4-chlorophenyl)-1-propylpyridin-1-ium?
The canonical SMILES for 4-(4-chlorophenyl)-1-propylpyridin-1-ium is CCC[n+]1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-propylpyridin-1-ium?
The InChIKey is KFMAHFYXQAWXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN/c1-2-9-16-10-7-13(8-11-16)12-3-5-14(15)6-4-12/h3-8,10-11H,2,9H2,1H3/q+1.
What are the key properties of 4-(4-chlorophenyl)-1-propylpyridin-1-ium?
4-(4-chlorophenyl)-1-propylpyridin-1-ium has a molecular weight of 232.73 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-propylpyridin-1-ium is sourced from PubChem (CID 123750800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).