1-butylpyridin-1-ium iodide

C9H14IN — CID 14007922

IUPAC1-butylpyridin-1-ium iodide
SMILESCCCC[n+]1ccccc1.[I-]
InChIInChI=1S/C9H14N.HI/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChIKeyFMCBAAMDKQPYKZ-UHFFFAOYSA-M
MW263.12 g/mol
LogP-1.22
Rot. Bonds3

About 1-butylpyridin-1-ium iodide

1-butylpyridin-1-ium iodide (PubChem CID 14007922) has the molecular formula C9H14IN and a molecular weight of 263.12 g/mol. Its IUPAC name is 1-butylpyridin-1-ium iodide.

Molecular Properties

Compound Name1-butylpyridin-1-ium iodide
PubChem CID14007922
Molecular FormulaC9H14IN
Molecular Weight263.12 g/mol
Exact Mass263.02
IUPAC Name1-butylpyridin-1-ium iodide
SMILESCCCC[n+]1ccccc1.[I-]
InChIInChI=1S/C9H14N.HI/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1
InChIKeyFMCBAAMDKQPYKZ-UHFFFAOYSA-M
XLogP-1.22
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 5-1.22
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

Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
Pralidoxime Chloride
CID 135445761
Cetylpyridinium Bromide
CID 8816
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
2-Methylpyridine
CID 7975
2-Vinylpyridine
CID 7521
Betahistine
CID 2366
5-Ethyl-2-methylpyridine
CID 7728

Frequently Asked Questions

What is the IUPAC name of 1-butylpyridin-1-ium iodide?
The IUPAC name of 1-butylpyridin-1-ium iodide (CID 14007922) is 1-butylpyridin-1-ium iodide.
What is the SMILES notation for 1-butylpyridin-1-ium iodide?
The canonical SMILES for 1-butylpyridin-1-ium iodide is CCCC[n+]1ccccc1.[I-].
What is the InChIKey of 1-butylpyridin-1-ium iodide?
The InChIKey is FMCBAAMDKQPYKZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H14N.HI/c1-2-3-7-10-8-5-4-6-9-10;/h4-6,8-9H,2-3,7H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-butylpyridin-1-ium iodide?
1-butylpyridin-1-ium iodide has a molecular weight of 263.12 g/mol, XLogP of -1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butylpyridin-1-ium iodide is sourced from PubChem (CID 14007922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).