2-(2-chloroethyl)-1-methylpyridin-1-ium iodide

C8H11ClIN — CID 10826863

IUPAC2-(2-chloroethyl)-1-methylpyridin-1-ium iodide
SMILESC[n+]1ccccc1CCCl.[I-]
InChIInChI=1S/C8H11ClN.HI/c1-10-7-3-2-4-8(10)5-6-9;/h2-4,7H,5-6H2,1H3;1H/q+1;/p-1
InChIKeyONOXHONXXJZVAB-UHFFFAOYSA-M
MW283.54 g/mol
LogP-1.70
Rot. Bonds2

About 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide

2-(2-chloroethyl)-1-methylpyridin-1-ium iodide (PubChem CID 10826863) has the molecular formula C8H11ClIN and a molecular weight of 283.54 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-methylpyridin-1-ium iodide
PubChem CID10826863
Molecular FormulaC8H11ClIN
Molecular Weight283.54 g/mol
Exact Mass282.96
IUPAC Name2-(2-chloroethyl)-1-methylpyridin-1-ium iodide
SMILESC[n+]1ccccc1CCCl.[I-]
InChIInChI=1S/C8H11ClN.HI/c1-10-7-3-2-4-8(10)5-6-9;/h2-4,7H,5-6H2,1H3;1H/q+1;/p-1
InChIKeyONOXHONXXJZVAB-UHFFFAOYSA-M
XLogP-1.70
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.54
LogP ≤ 5-1.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-2-[3-(1-methylpyridin-1-ium-2-yl)propyl]pyridin-1-ium
CID 58017438
2-butyl-1-methylpyridin-1-ium chloride
CID 66655977
1-methyl-2-[2-[2-[2-(1-methylpyridin-1-ium-2-yl)ethylsulfanyl]ethylsulfanyl]ethyl]pyridin-1-ium
CID 139533756
1-methyl-2-[[(1-methylpyridin-1-ium-2-yl)methyldisulfanyl]methyl]pyridin-1-ium diiodide
CID 172728060
iodomethane;(1-methylpyridin-1-ium-2-yl)methanamine;iodide
CID 158947116
1-methyl-2-tetradecylpyridin-1-ium bromide
CID 57359904
1-methyl-2-(4-methylpentyl)pyridin-1-ium
CID 58357284
12-(1-methylpyridin-1-ium-2-yl)dodecanoic acid
CID 69480324
tert-butyl-dimethyl-[(1-methylpyridin-1-ium-2-yl)methyl]germane
CID 139102151
1-methyl-2-(phenylselanylmethyl)pyridin-1-ium
CID 51358024
1-(1-methylpyridin-1-ium-2-yl)propan-2-one;hydrobromide
CID 126957614
methanesulfonate;trimethoxy-[2-(1-methylpyridin-1-ium-2-yl)ethyl]silane
CID 86654377

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide?
The IUPAC name of 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide (CID 10826863) is 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide.
What is the SMILES notation for 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide?
The canonical SMILES for 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide is C[n+]1ccccc1CCCl.[I-].
What is the InChIKey of 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide?
The InChIKey is ONOXHONXXJZVAB-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11ClN.HI/c1-10-7-3-2-4-8(10)5-6-9;/h2-4,7H,5-6H2,1H3;1H/q+1;/p-1.
What are the key properties of 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide?
2-(2-chloroethyl)-1-methylpyridin-1-ium iodide has a molecular weight of 283.54 g/mol, XLogP of -1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-methylpyridin-1-ium iodide is sourced from PubChem (CID 10826863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).