1-ethyl-2H-pyridine tetrafluoroborate

C7H11BF4N- — CID 160668129

IUPAC1-ethyl-2H-pyridine tetrafluoroborate
SMILESCCN1C=CC=CC1.F[B-](F)(F)F
InChIInChI=1S/C7H11N.BF4/c1-2-8-6-4-3-5-7-8;2-1(3,4)5/h3-6H,2,7H2,1H3;/q;-1
InChIKeyRMORXWVMHSXFCK-UHFFFAOYSA-N
MW195.98 g/mol
LogP2.69
Rot. Bonds1

About 1-ethyl-2H-pyridine tetrafluoroborate

1-ethyl-2H-pyridine tetrafluoroborate (PubChem CID 160668129) has the molecular formula C7H11BF4N- and a molecular weight of 195.98 g/mol. Its IUPAC name is 1-ethyl-2H-pyridine tetrafluoroborate.

Molecular Properties

Compound Name1-ethyl-2H-pyridine tetrafluoroborate
PubChem CID160668129
Molecular FormulaC7H11BF4N-
Molecular Weight195.98 g/mol
Exact Mass196.09
IUPAC Name1-ethyl-2H-pyridine tetrafluoroborate
SMILESCCN1C=CC=CC1.F[B-](F)(F)F
InChIInChI=1S/C7H11N.BF4/c1-2-8-6-4-3-5-7-8;2-1(3,4)5/h3-6H,2,7H2,1H3;/q;-1
InChIKeyRMORXWVMHSXFCK-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.98
LogP ≤ 52.69
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-ethyl-2H-pyridine tetrafluoroborate?
The IUPAC name of 1-ethyl-2H-pyridine tetrafluoroborate (CID 160668129) is 1-ethyl-2H-pyridine tetrafluoroborate.
What is the SMILES notation for 1-ethyl-2H-pyridine tetrafluoroborate?
The canonical SMILES for 1-ethyl-2H-pyridine tetrafluoroborate is CCN1C=CC=CC1.F[B-](F)(F)F.
What is the InChIKey of 1-ethyl-2H-pyridine tetrafluoroborate?
The InChIKey is RMORXWVMHSXFCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.BF4/c1-2-8-6-4-3-5-7-8;2-1(3,4)5/h3-6H,2,7H2,1H3;/q;-1.
What are the key properties of 1-ethyl-2H-pyridine tetrafluoroborate?
1-ethyl-2H-pyridine tetrafluoroborate has a molecular weight of 195.98 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2H-pyridine tetrafluoroborate is sourced from PubChem (CID 160668129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).