4-(4-chlorophenyl)-1-methylpyridin-1-ium

C12H11ClN+ — CID 24799632

IUPAC4-(4-chlorophenyl)-1-methylpyridin-1-ium
SMILESC[n+]1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H11ClN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-9H,1H3/q+1
InChIKeySLZRQJWFZIWLCQ-UHFFFAOYSA-N
MW204.68 g/mol
LogP2.83
Rot. Bonds1

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

4-(4-chlorophenyl)-1-methylpyridin-1-ium (PubChem CID 24799632) has the molecular formula C12H11ClN+ and a molecular weight of 204.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methylpyridin-1-ium
PubChem CID24799632
Molecular FormulaC12H11ClN+
Molecular Weight204.68 g/mol
Exact Mass204.06
IUPAC Name4-(4-chlorophenyl)-1-methylpyridin-1-ium
SMILESC[n+]1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C12H11ClN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-9H,1H3/q+1
InChIKeySLZRQJWFZIWLCQ-UHFFFAOYSA-N
XLogP2.83
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.68
LogP ≤ 52.83
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methylpyridin-1-ium?
The IUPAC name of 4-(4-chlorophenyl)-1-methylpyridin-1-ium (CID 24799632) is 4-(4-chlorophenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 4-(4-chlorophenyl)-1-methylpyridin-1-ium is C[n+]1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methylpyridin-1-ium?
The InChIKey is SLZRQJWFZIWLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN/c1-14-8-6-11(7-9-14)10-2-4-12(13)5-3-10/h2-9H,1H3/q+1.
What are the key properties of 4-(4-chlorophenyl)-1-methylpyridin-1-ium?
4-(4-chlorophenyl)-1-methylpyridin-1-ium has a molecular weight of 204.68 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 24799632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).