1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate

C7H11BF5N — CID 174446637

IUPAC1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate
SMILESCCN1C=CC=CC1F.F[B-](F)(F)F.[H+]
InChIInChI=1S/C7H10FN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-7H,2H2,1H3;/q;-1/p+1
InChIKeyVIRMPEBGLVCURM-UHFFFAOYSA-O
MW214.97 g/mol
LogP3.10
Rot. Bonds1

About 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate

1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate (PubChem CID 174446637) has the molecular formula C7H11BF5N and a molecular weight of 214.97 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate.

Molecular Properties

Compound Name1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate
PubChem CID174446637
Molecular FormulaC7H11BF5N
Molecular Weight214.97 g/mol
Exact Mass215.09
IUPAC Name1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate
SMILESCCN1C=CC=CC1F.F[B-](F)(F)F.[H+]
InChIInChI=1S/C7H10FN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-7H,2H2,1H3;/q;-1/p+1
InChIKeyVIRMPEBGLVCURM-UHFFFAOYSA-O
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.97
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate?
The IUPAC name of 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate (CID 174446637) is 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate.
What is the SMILES notation for 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate?
The canonical SMILES for 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate is CCN1C=CC=CC1F.F[B-](F)(F)F.[H+].
What is the InChIKey of 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate?
The InChIKey is VIRMPEBGLVCURM-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10FN.BF4/c1-2-9-6-4-3-5-7(9)8;2-1(3,4)5/h3-7H,2H2,1H3;/q;-1/p+1.
What are the key properties of 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate?
1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate has a molecular weight of 214.97 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-2H-pyridine;hydron;tetrafluoroborate is sourced from PubChem (CID 174446637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).