2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium

C12H10Cl2N+ — CID 139806026

IUPAC2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium
SMILESClc1ccc(C[n+]2ccccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N/c13-11-6-4-10(5-7-11)9-15-8-2-1-3-12(15)14/h1-8H,9H2/q+1
InChIKeyFARLGNZFUCBYSX-UHFFFAOYSA-N
MW239.13 g/mol
LogP3.33
Rot. Bonds2

About 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium

2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium (PubChem CID 139806026) has the molecular formula C12H10Cl2N+ and a molecular weight of 239.13 g/mol. Its IUPAC name is 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium.

Molecular Properties

Compound Name2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium
PubChem CID139806026
Molecular FormulaC12H10Cl2N+
Molecular Weight239.13 g/mol
Exact Mass238.02
IUPAC Name2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium
SMILESClc1ccc(C[n+]2ccccc2Cl)cc1
InChIInChI=1S/C12H10Cl2N/c13-11-6-4-10(5-7-11)9-15-8-2-1-3-12(15)14/h1-8H,9H2/q+1
InChIKeyFARLGNZFUCBYSX-UHFFFAOYSA-N
XLogP3.33
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-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-[(4-methoxyphenyl)methyl]pyridin-1-ium
CID 15766527
2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium
CID 14716738
1-benzyl-2,4-dichloropyridin-1-ium
CID 139731587
1-butyl-2-chloropyridin-1-ium
CID 139697433
1-benzyl-2-methylpyridin-1-ium;hydroiodide
CID 126958075
2-[(4-chlorophenyl)methyl]-1-methyl-9H-pyrido[3,4-b]indol-2-ium bromide
CID 122178003
2-chloro-1-[(E)-3-phenylprop-2-enyl]pyridin-1-ium
CID 101166091
(NE)-N-[[1-[(4-propan-2-ylphenyl)methyl]pyridin-1-ium-2-yl]methylidene]hydroxylamine
CID 135502290
1-[(4-chlorophenyl)methyl]-4-methylpyridin-1-ium bromide
CID 71342801
N-[4-[(2-chloropyridin-1-ium-1-yl)methyl]phenyl]-7-phenyl-3,4-dihydronaphthalene-2-carboxamide chloride
CID 162221982
1-[(4-chlorophenyl)methyl]-2-methyl-3-propylimidazol-1-ium
CID 153473093
1-[[4-[4-[[4-(4-chloro-N-methylanilino)quinolin-1-ium-1-yl]methyl]phenyl]phenyl]methyl]-N-(4-chlorophenyl)-N-methylquinolin-1-ium-4-amine;hydrobromide
CID 57411053

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium?
The IUPAC name of 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium (CID 139806026) is 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium.
What is the SMILES notation for 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium?
The canonical SMILES for 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium is Clc1ccc(C[n+]2ccccc2Cl)cc1.
What is the InChIKey of 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium?
The InChIKey is FARLGNZFUCBYSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N/c13-11-6-4-10(5-7-11)9-15-8-2-1-3-12(15)14/h1-8H,9H2/q+1.
What are the key properties of 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium?
2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium has a molecular weight of 239.13 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-[(4-chlorophenyl)methyl]pyridin-1-ium is sourced from PubChem (CID 139806026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).