4-butyl-1-methylpyridin-1-ium fluoride

C10H16FN — CID 171569947

IUPAC4-butyl-1-methylpyridin-1-ium fluoride
SMILESCCCCc1cc[n+](C)cc1.[F-]
InChIInChI=1S/C10H16N.FH/c1-3-4-5-10-6-8-11(2)9-7-10;/h6-9H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKeyZGRXGYTUKZCIJE-UHFFFAOYSA-M
MW169.24 g/mol
LogP-1.14
Rot. Bonds3

About 4-butyl-1-methylpyridin-1-ium fluoride

4-butyl-1-methylpyridin-1-ium fluoride (PubChem CID 171569947) has the molecular formula C10H16FN and a molecular weight of 169.24 g/mol. Its IUPAC name is 4-butyl-1-methylpyridin-1-ium fluoride.

Molecular Properties

Compound Name4-butyl-1-methylpyridin-1-ium fluoride
PubChem CID171569947
Molecular FormulaC10H16FN
Molecular Weight169.24 g/mol
Exact Mass169.13
IUPAC Name4-butyl-1-methylpyridin-1-ium fluoride
SMILESCCCCc1cc[n+](C)cc1.[F-]
InChIInChI=1S/C10H16N.FH/c1-3-4-5-10-6-8-11(2)9-7-10;/h6-9H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKeyZGRXGYTUKZCIJE-UHFFFAOYSA-M
XLogP-1.14
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-butyl-1-dodecylpyridin-1-ium chloride
CID 22164599
1-methyl-4-pent-4-enylpyridin-1-ium
CID 59152861
N-[(4-butylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide
CID 123663391
1-butyl-4-pentylpyridin-1-ium
CID 69385762
1-butyl-4-[(4-butylphenyl)methyl]benzene
CID 57156341
1-butyl-4-nonylbenzene
CID 59545302
1,4-bis[(4-butylphenyl)methyl]benzene
CID 58021495
4-butyl-1-dodecylpyridin-1-ium cyanide
CID 171570720
4-(9,9-dimethyldecyl)-1-methylpyridin-1-ium iodide
CID 71337832
1-heptyl-4-pentadecylpyridin-1-ium
CID 69392456
4-decyl-1-heptylpyridin-1-ium
CID 69386084
4-hexyl-1-pentylpyridin-1-ium
CID 69396587

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-methylpyridin-1-ium fluoride?
The IUPAC name of 4-butyl-1-methylpyridin-1-ium fluoride (CID 171569947) is 4-butyl-1-methylpyridin-1-ium fluoride.
What is the SMILES notation for 4-butyl-1-methylpyridin-1-ium fluoride?
The canonical SMILES for 4-butyl-1-methylpyridin-1-ium fluoride is CCCCc1cc[n+](C)cc1.[F-].
What is the InChIKey of 4-butyl-1-methylpyridin-1-ium fluoride?
The InChIKey is ZGRXGYTUKZCIJE-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H16N.FH/c1-3-4-5-10-6-8-11(2)9-7-10;/h6-9H,3-5H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 4-butyl-1-methylpyridin-1-ium fluoride?
4-butyl-1-methylpyridin-1-ium fluoride has a molecular weight of 169.24 g/mol, XLogP of -1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-methylpyridin-1-ium fluoride is sourced from PubChem (CID 171569947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).