1-butyl-4-methylpyridin-1-ium tetrafluoroborate

C10H16BF4N — CID 11492406

IUPAC1-butyl-4-methylpyridin-1-ium tetrafluoroborate
SMILESCCCC[n+]1ccc(C)cc1.F[B-](F)(F)F
InChIInChI=1S/C10H16N.BF4/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3,4)5/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1
InChIKeyVISYYHYJMCAKAF-UHFFFAOYSA-N
MW237.05 g/mol
LogP3.38
Rot. Bonds3

About 1-butyl-4-methylpyridin-1-ium tetrafluoroborate

1-butyl-4-methylpyridin-1-ium tetrafluoroborate (PubChem CID 11492406) has the molecular formula C10H16BF4N and a molecular weight of 237.05 g/mol. Its IUPAC name is 1-butyl-4-methylpyridin-1-ium tetrafluoroborate.

Molecular Properties

Compound Name1-butyl-4-methylpyridin-1-ium tetrafluoroborate
PubChem CID11492406
Molecular FormulaC10H16BF4N
Molecular Weight237.05 g/mol
Exact Mass237.13
IUPAC Name1-butyl-4-methylpyridin-1-ium tetrafluoroborate
SMILESCCCC[n+]1ccc(C)cc1.F[B-](F)(F)F
InChIInChI=1S/C10H16N.BF4/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3,4)5/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1
InChIKeyVISYYHYJMCAKAF-UHFFFAOYSA-N
XLogP3.38
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.05
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Cetylpyridinium Chloride
CID 31239
Paraquat dichloride
CID 15938
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
Cetylpyridinium Bromide
CID 8816
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
5-Ethyl-2-methylpyridine
CID 7728
Cetylpyridinium
CID 2683
2,4-Dimethylpyridine
CID 7936
3-Ethylpyridine
CID 10823
Rivanicline
CID 5310967

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpyridin-1-ium tetrafluoroborate?
The IUPAC name of 1-butyl-4-methylpyridin-1-ium tetrafluoroborate (CID 11492406) is 1-butyl-4-methylpyridin-1-ium tetrafluoroborate.
What is the SMILES notation for 1-butyl-4-methylpyridin-1-ium tetrafluoroborate?
The canonical SMILES for 1-butyl-4-methylpyridin-1-ium tetrafluoroborate is CCCC[n+]1ccc(C)cc1.F[B-](F)(F)F.
What is the InChIKey of 1-butyl-4-methylpyridin-1-ium tetrafluoroborate?
The InChIKey is VISYYHYJMCAKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N.BF4/c1-3-4-7-11-8-5-10(2)6-9-11;2-1(3,4)5/h5-6,8-9H,3-4,7H2,1-2H3;/q+1;-1.
What are the key properties of 1-butyl-4-methylpyridin-1-ium tetrafluoroborate?
1-butyl-4-methylpyridin-1-ium tetrafluoroborate has a molecular weight of 237.05 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpyridin-1-ium tetrafluoroborate is sourced from PubChem (CID 11492406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).