1-butyl-2-propylpyridin-1-ium fluoride

C12H20FN — CID 171569920

IUPAC1-butyl-2-propylpyridin-1-ium fluoride
SMILESCCCC[n+]1ccccc1CCC.[F-]
InChIInChI=1S/C12H20N.FH/c1-3-5-10-13-11-7-6-9-12(13)8-4-2;/h6-7,9,11H,3-5,8,10H2,1-2H3;1H/q+1;/p-1
InChIKeyCSQCABFXPATVQJ-UHFFFAOYSA-M
MW197.30 g/mol
LogP-0.27
Rot. Bonds5

About 1-butyl-2-propylpyridin-1-ium fluoride

1-butyl-2-propylpyridin-1-ium fluoride (PubChem CID 171569920) has the molecular formula C12H20FN and a molecular weight of 197.30 g/mol. Its IUPAC name is 1-butyl-2-propylpyridin-1-ium fluoride.

Molecular Properties

Compound Name1-butyl-2-propylpyridin-1-ium fluoride
PubChem CID171569920
Molecular FormulaC12H20FN
Molecular Weight197.30 g/mol
Exact Mass197.16
IUPAC Name1-butyl-2-propylpyridin-1-ium fluoride
SMILESCCCC[n+]1ccccc1CCC.[F-]
InChIInChI=1S/C12H20N.FH/c1-3-5-10-13-11-7-6-9-12(13)8-4-2;/h6-7,9,11H,3-5,8,10H2,1-2H3;1H/q+1;/p-1
InChIKeyCSQCABFXPATVQJ-UHFFFAOYSA-M
XLogP-0.27
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-butyl-2-propylpyridin-1-ium fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-heptyl-2-propylpyridin-1-ium fluoride
CID 171570135
1-butyl-2-hexylpyridin-1-ium
CID 69233068
1-butyl-2-propylpyridin-1-ium;methanesulfonate
CID 171571386
2-hexadecyl-1-[10-(2-hexadecylpyridin-1-ium-1-yl)decyl]pyridin-1-ium
CID 101475531
2-octyl-1-[8-(2-octylpyridin-1-ium-1-yl)octyl]pyridin-1-ium
CID 102323866
2-butyl-1-dodecylpyridin-1-ium
CID 171570143
2-pentyl-1-[12-(2-pentylpyridin-1-ium-1-yl)dodecyl]pyridin-1-ium
CID 24865578
1-decyl-2-octylpyridin-1-ium chloride
CID 67784709
2-decyl-1-[6-(2-decylpyridin-1-ium-1-yl)hexyl]pyridin-1-ium dibromide
CID 175685303
1-dodecyl-2-[3-(1-dodecylpyridin-1-ium-2-yl)propyl]pyridin-1-ium diiodide
CID 11007274
2-ethyl-1-hexylpyridin-1-ium fluoride
CID 171571226
1-butyl-2-ethylpyridin-1-ium cyanide
CID 171571156

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-propylpyridin-1-ium fluoride?
The IUPAC name of 1-butyl-2-propylpyridin-1-ium fluoride (CID 171569920) is 1-butyl-2-propylpyridin-1-ium fluoride.
What is the SMILES notation for 1-butyl-2-propylpyridin-1-ium fluoride?
The canonical SMILES for 1-butyl-2-propylpyridin-1-ium fluoride is CCCC[n+]1ccccc1CCC.[F-].
What is the InChIKey of 1-butyl-2-propylpyridin-1-ium fluoride?
The InChIKey is CSQCABFXPATVQJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H20N.FH/c1-3-5-10-13-11-7-6-9-12(13)8-4-2;/h6-7,9,11H,3-5,8,10H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-butyl-2-propylpyridin-1-ium fluoride?
1-butyl-2-propylpyridin-1-ium fluoride has a molecular weight of 197.30 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-propylpyridin-1-ium fluoride is sourced from PubChem (CID 171569920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).