1-butyl-2H-pyridine;hydron;tetrafluoroborate

C9H16BF4N — CID 174529026

IUPAC1-butyl-2H-pyridine;hydron;tetrafluoroborate
SMILESCCCCN1C=CC=CC1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C9H15N.BF4/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)5/h4-6,8H,2-3,7,9H2,1H3;/q;-1/p+1
InChIKeyKPELWBWXZLFDOP-UHFFFAOYSA-O
MW225.04 g/mol
LogP3.58
Rot. Bonds3

About 1-butyl-2H-pyridine;hydron;tetrafluoroborate

1-butyl-2H-pyridine;hydron;tetrafluoroborate (PubChem CID 174529026) has the molecular formula C9H16BF4N and a molecular weight of 225.04 g/mol. Its IUPAC name is 1-butyl-2H-pyridine;hydron;tetrafluoroborate.

Molecular Properties

Compound Name1-butyl-2H-pyridine;hydron;tetrafluoroborate
PubChem CID174529026
Molecular FormulaC9H16BF4N
Molecular Weight225.04 g/mol
Exact Mass225.13
IUPAC Name1-butyl-2H-pyridine;hydron;tetrafluoroborate
SMILESCCCCN1C=CC=CC1.F[B-](F)(F)F.[H+]
InChIInChI=1S/C9H15N.BF4/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)5/h4-6,8H,2-3,7,9H2,1H3;/q;-1/p+1
InChIKeyKPELWBWXZLFDOP-UHFFFAOYSA-O
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.04
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2H-pyridine;hydron;tetrafluoroborate?
The IUPAC name of 1-butyl-2H-pyridine;hydron;tetrafluoroborate (CID 174529026) is 1-butyl-2H-pyridine;hydron;tetrafluoroborate.
What is the SMILES notation for 1-butyl-2H-pyridine;hydron;tetrafluoroborate?
The canonical SMILES for 1-butyl-2H-pyridine;hydron;tetrafluoroborate is CCCCN1C=CC=CC1.F[B-](F)(F)F.[H+].
What is the InChIKey of 1-butyl-2H-pyridine;hydron;tetrafluoroborate?
The InChIKey is KPELWBWXZLFDOP-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H15N.BF4/c1-2-3-7-10-8-5-4-6-9-10;2-1(3,4)5/h4-6,8H,2-3,7,9H2,1H3;/q;-1/p+1.
What are the key properties of 1-butyl-2H-pyridine;hydron;tetrafluoroborate?
1-butyl-2H-pyridine;hydron;tetrafluoroborate has a molecular weight of 225.04 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2H-pyridine;hydron;tetrafluoroborate is sourced from PubChem (CID 174529026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).