1-ethyl-2H-pyridine;hydrofluoride

C7H12FN — CID 159476813

IUPAC1-ethyl-2H-pyridine;hydrofluoride
SMILESCCN1C=CC=CC1.F
InChIInChI=1S/C7H11N.FH/c1-2-8-6-4-3-5-7-8;/h3-6H,2,7H2,1H3;1H
InChIKeyBGSOHRSIAYRTHB-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.54
Rot. Bonds1

About 1-ethyl-2H-pyridine;hydrofluoride

1-ethyl-2H-pyridine;hydrofluoride (PubChem CID 159476813) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-ethyl-2H-pyridine;hydrofluoride.

Molecular Properties

Compound Name1-ethyl-2H-pyridine;hydrofluoride
PubChem CID159476813
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-ethyl-2H-pyridine;hydrofluoride
SMILESCCN1C=CC=CC1.F
InChIInChI=1S/C7H11N.FH/c1-2-8-6-4-3-5-7-8;/h3-6H,2,7H2,1H3;1H
InChIKeyBGSOHRSIAYRTHB-UHFFFAOYSA-N
XLogP1.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-2H-pyridine;hydrofluoride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2H-pyridine;hydrofluoride?
The IUPAC name of 1-ethyl-2H-pyridine;hydrofluoride (CID 159476813) is 1-ethyl-2H-pyridine;hydrofluoride.
What is the SMILES notation for 1-ethyl-2H-pyridine;hydrofluoride?
The canonical SMILES for 1-ethyl-2H-pyridine;hydrofluoride is CCN1C=CC=CC1.F.
What is the InChIKey of 1-ethyl-2H-pyridine;hydrofluoride?
The InChIKey is BGSOHRSIAYRTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N.FH/c1-2-8-6-4-3-5-7-8;/h3-6H,2,7H2,1H3;1H.
What are the key properties of 1-ethyl-2H-pyridine;hydrofluoride?
1-ethyl-2H-pyridine;hydrofluoride has a molecular weight of 129.18 g/mol, XLogP of 1.54, 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;hydrofluoride is sourced from PubChem (CID 159476813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).