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

C12H10Cl2N+ — CID 14716738

IUPAC2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium
SMILESClc1ccccc1C[n+]1ccccc1Cl
InChIInChI=1S/C12H10Cl2N/c13-11-6-2-1-5-10(11)9-15-8-4-3-7-12(15)14/h1-8H,9H2/q+1
InChIKeyHPJXYLZVZLBLEP-UHFFFAOYSA-N
MW239.13 g/mol
LogP3.33
Rot. Bonds2

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

2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium (PubChem CID 14716738) has the molecular formula C12H10Cl2N+ and a molecular weight of 239.13 g/mol. Its IUPAC name is 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium.

Molecular Properties

Compound Name2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium
PubChem CID14716738
Molecular FormulaC12H10Cl2N+
Molecular Weight239.13 g/mol
Exact Mass238.02
IUPAC Name2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium
SMILESClc1ccccc1C[n+]1ccccc1Cl
InChIInChI=1S/C12H10Cl2N/c13-11-6-2-1-5-10(11)9-15-8-4-3-7-12(15)14/h1-8H,9H2/q+1
InChIKeyHPJXYLZVZLBLEP-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-[(2-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

1-[(2-chlorophenyl)methyl]-2,4-dimethylpyridin-1-ium
CID 3273362
CID 88515237
CID 88515237
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
1-[(2-chlorophenyl)methyl]-5,7-dimethylimidazo[1,2-a]pyridin-1-ium chloride
CID 134098477
2-chloro-6-[(2-chlorophenyl)methyl]-1-oxidopyridin-1-ium
CID 134105894
2-chloro-1-(cycloheptylmethyl)pyridin-1-ium
CID 143759111
1-chloro-2-(2-chloroethyl)benzene
CID 12587535
1-chloro-2-(2-propan-2-yloxyethyl)benzene
CID 91691644
2-(2-chlorophenyl)-N-methylethanimine
CID 143112738
[(2-chlorophenyl)methylamino]methanethiol
CID 88942802
(2-chlorophenyl)-dideuteriomethanol
CID 142596700
dichloro-bis[(2-chlorophenyl)methyl]stannane
CID 71347679

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium?
The IUPAC name of 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium (CID 14716738) is 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium.
What is the SMILES notation for 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium?
The canonical SMILES for 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium is Clc1ccccc1C[n+]1ccccc1Cl.
What is the InChIKey of 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium?
The InChIKey is HPJXYLZVZLBLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N/c13-11-6-2-1-5-10(11)9-15-8-4-3-7-12(15)14/h1-8H,9H2/q+1.
What are the key properties of 2-chloro-1-[(2-chlorophenyl)methyl]pyridin-1-ium?
2-chloro-1-[(2-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-[(2-chlorophenyl)methyl]pyridin-1-ium is sourced from PubChem (CID 14716738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).