4-methyl-1-propylpyridin-1-ium iodide

C9H14IN — CID 15904240

IUPAC4-methyl-1-propylpyridin-1-ium iodide
SMILESCCC[n+]1ccc(C)cc1.[I-]
InChIInChI=1S/C9H14N.HI/c1-3-6-10-7-4-9(2)5-8-10;/h4-5,7-8H,3,6H2,1-2H3;1H/q+1;/p-1
InChIKeyHLAYBASLRQCFTR-UHFFFAOYSA-M
MW263.12 g/mol
LogP-1.30
Rot. Bonds2

About 4-methyl-1-propylpyridin-1-ium iodide

4-methyl-1-propylpyridin-1-ium iodide (PubChem CID 15904240) has the molecular formula C9H14IN and a molecular weight of 263.12 g/mol. Its IUPAC name is 4-methyl-1-propylpyridin-1-ium iodide.

Molecular Properties

Compound Name4-methyl-1-propylpyridin-1-ium iodide
PubChem CID15904240
Molecular FormulaC9H14IN
Molecular Weight263.12 g/mol
Exact Mass263.02
IUPAC Name4-methyl-1-propylpyridin-1-ium iodide
SMILESCCC[n+]1ccc(C)cc1.[I-]
InChIInChI=1S/C9H14N.HI/c1-3-6-10-7-4-9(2)5-8-10;/h4-5,7-8H,3,6H2,1-2H3;1H/q+1;/p-1
InChIKeyHLAYBASLRQCFTR-UHFFFAOYSA-M
XLogP-1.30
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-propylpyridin-1-ium cyanide
CID 171571346
4-methyl-1-propylpyridin-1-ium;2,2,2-trifluoroacetate
CID 118062447
4-methyl-1-[8-(4-methylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 10813744
1-ethyl-4-methylpyridin-1-ium bromide
CID 14358228
4-methyl-1-[10-(4-methylpyridin-1-ium-1-yl)decyl]pyridin-1-ium;tetrahydrobromide
CID 174105717
4-methyl-1-[7-(4-methylpyridin-1-ium-1-yl)heptyl]pyridin-1-ium dibromide
CID 10527247
1-propylpyridin-1-ium-4-amine bromide
CID 13073422
1-butyl-4-methylpyridin-1-ium;copper;tetrafluoroborate
CID 87482027
3-(4-methylpyridin-1-ium-1-yl)propan-1-amine bromide
CID 162340463
1-butyl-3-methylpyridin-1-ium;1-butyl-4-methylpyridin-1-ium;diiodide
CID 172850562
sodium;1-butyl-4-methylpyridin-1-ium;hydride;tetrafluoroborate
CID 173026044
4-methyl-1-nonylpyridin-1-ium hexafluorophosphate
CID 158312080

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propylpyridin-1-ium iodide?
The IUPAC name of 4-methyl-1-propylpyridin-1-ium iodide (CID 15904240) is 4-methyl-1-propylpyridin-1-ium iodide.
What is the SMILES notation for 4-methyl-1-propylpyridin-1-ium iodide?
The canonical SMILES for 4-methyl-1-propylpyridin-1-ium iodide is CCC[n+]1ccc(C)cc1.[I-].
What is the InChIKey of 4-methyl-1-propylpyridin-1-ium iodide?
The InChIKey is HLAYBASLRQCFTR-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N.HI/c1-3-6-10-7-4-9(2)5-8-10;/h4-5,7-8H,3,6H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 4-methyl-1-propylpyridin-1-ium iodide?
4-methyl-1-propylpyridin-1-ium iodide has a molecular weight of 263.12 g/mol, XLogP of -1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propylpyridin-1-ium iodide is sourced from PubChem (CID 15904240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).