1-ethyl-2H-pyridine;hydron;hexafluorophosphate

C7H12F6NP — CID 162331813

IUPAC1-ethyl-2H-pyridine;hydron;hexafluorophosphate
SMILESCCN1C=CC=CC1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C7H11N.F6P/c1-2-8-6-4-3-5-7-8;1-7(2,3,4,5)6/h3-6H,2,7H2,1H3;/q;-1/p+1
InChIKeyHNEXKLHSPXLYEY-UHFFFAOYSA-O
MW255.14 g/mol
LogP4.89
Rot. Bonds1

About 1-ethyl-2H-pyridine;hydron;hexafluorophosphate

1-ethyl-2H-pyridine;hydron;hexafluorophosphate (PubChem CID 162331813) has the molecular formula C7H12F6NP and a molecular weight of 255.14 g/mol. Its IUPAC name is 1-ethyl-2H-pyridine;hydron;hexafluorophosphate.

Molecular Properties

Compound Name1-ethyl-2H-pyridine;hydron;hexafluorophosphate
PubChem CID162331813
Molecular FormulaC7H12F6NP
Molecular Weight255.14 g/mol
Exact Mass255.06
IUPAC Name1-ethyl-2H-pyridine;hydron;hexafluorophosphate
SMILESCCN1C=CC=CC1.F[P-](F)(F)(F)(F)F.[H+]
InChIInChI=1S/C7H11N.F6P/c1-2-8-6-4-3-5-7-8;1-7(2,3,4,5)6/h3-6H,2,7H2,1H3;/q;-1/p+1
InChIKeyHNEXKLHSPXLYEY-UHFFFAOYSA-O
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.14
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2H-pyridine;hydron;hexafluorophosphate?
The IUPAC name of 1-ethyl-2H-pyridine;hydron;hexafluorophosphate (CID 162331813) is 1-ethyl-2H-pyridine;hydron;hexafluorophosphate.
What is the SMILES notation for 1-ethyl-2H-pyridine;hydron;hexafluorophosphate?
The canonical SMILES for 1-ethyl-2H-pyridine;hydron;hexafluorophosphate is CCN1C=CC=CC1.F[P-](F)(F)(F)(F)F.[H+].
What is the InChIKey of 1-ethyl-2H-pyridine;hydron;hexafluorophosphate?
The InChIKey is HNEXKLHSPXLYEY-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11N.F6P/c1-2-8-6-4-3-5-7-8;1-7(2,3,4,5)6/h3-6H,2,7H2,1H3;/q;-1/p+1.
What are the key properties of 1-ethyl-2H-pyridine;hydron;hexafluorophosphate?
1-ethyl-2H-pyridine;hydron;hexafluorophosphate has a molecular weight of 255.14 g/mol, XLogP of 4.89, 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;hydron;hexafluorophosphate is sourced from PubChem (CID 162331813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).