1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium

C14H15ClN+ — CID 3273362

IUPAC1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](Cc2ccccc2Cl)c(C)c1
InChIInChI=1S/C14H15ClN/c1-11-7-8-16(12(2)9-11)10-13-5-3-4-6-14(13)15/h3-9H,10H2,1-2H3/q+1
InChIKeyQPXHBUBCJOAJCJ-UHFFFAOYSA-N
MW232.73 g/mol
LogP3.29
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium

1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium (PubChem CID 3273362) has the molecular formula C14H15ClN+ and a molecular weight of 232.73 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium
PubChem CID3273362
Molecular FormulaC14H15ClN+
Molecular Weight232.73 g/mol
Exact Mass232.09
IUPAC Name1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](Cc2ccccc2Cl)c(C)c1
InChIInChI=1S/C14H15ClN/c1-11-7-8-16(12(2)9-11)10-13-5-3-4-6-14(13)15/h3-9H,10H2,1-2H3/q+1
InChIKeyQPXHBUBCJOAJCJ-UHFFFAOYSA-N
XLogP3.29
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium
CID 14716738
1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride
CID 134098477
2,4-dimethyl-1-prop-2-ynylpyridin-1-ium
CID 163687914
2,4-dimethyl-1-(3-phenylpropyl)pyridin-1-ium
CID 166057323
3-(2,4-dimethylpyridin-1-ium-1-yl)propan-1-ol
CID 68578625
2-[(2-chlorophenyl)methoxy]-5-methylaniline
CID 39350494
N-[(2-chlorophenyl)methyl]-2-fluoro-4-methylaniline
CID 28879324
CID 88515237
CID 88515237
1-[3-[3-[3-(2,4-dimethylpyridin-1-ium-1-yl)propyl]phenyl]propyl]-2,4-dimethylpyridin-1-ium
CID 69030208
2-(2-chlorophenyl)ethanol;ethane
CID 142279480
2-[[(2-chlorophenyl)methylamino]methyl]-4-methylphenol
CID 63323116
2-[(2-chlorophenyl)methylsulfanyl]-5-methylpyridin-3-amine
CID 103288225

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium (CID 3273362) is 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium is Cc1cc[n+](Cc2ccccc2Cl)c(C)c1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium?
The InChIKey is QPXHBUBCJOAJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN/c1-11-7-8-16(12(2)9-11)10-13-5-3-4-6-14(13)15/h3-9H,10H2,1-2H3/q+1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium?
1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium has a molecular weight of 232.73 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium is sourced from PubChem (CID 3273362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).