2-ethynyl-6-fluoropyridine

C7H4FN — CID 58574354

IUPAC2-ethynyl-6-fluoropyridine
SMILESC#Cc1cccc(F)n1
InChIInChI=1S/C7H4FN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
InChIKeyJFEWFXHNPSMINO-UHFFFAOYSA-N
MW121.11 g/mol
LogP1.20
Rot. Bonds

About 2-ethynyl-6-fluoropyridine

2-ethynyl-6-fluoropyridine (PubChem CID 58574354) has the molecular formula C7H4FN and a molecular weight of 121.11 g/mol. Its IUPAC name is 2-ethynyl-6-fluoropyridine.

Molecular Properties

Compound Name2-ethynyl-6-fluoropyridine
PubChem CID58574354
Molecular FormulaC7H4FN
Molecular Weight121.11 g/mol
Exact Mass121.03
IUPAC Name2-ethynyl-6-fluoropyridine
SMILESC#Cc1cccc(F)n1
InChIInChI=1S/C7H4FN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H
InChIKeyJFEWFXHNPSMINO-UHFFFAOYSA-N
XLogP1.20
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.11
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethynyl-6-fluoropyridine?
The IUPAC name of 2-ethynyl-6-fluoropyridine (CID 58574354) is 2-ethynyl-6-fluoropyridine.
What is the SMILES notation for 2-ethynyl-6-fluoropyridine?
The canonical SMILES for 2-ethynyl-6-fluoropyridine is C#Cc1cccc(F)n1.
What is the InChIKey of 2-ethynyl-6-fluoropyridine?
The InChIKey is JFEWFXHNPSMINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FN/c1-2-6-4-3-5-7(8)9-6/h1,3-5H.
What are the key properties of 2-ethynyl-6-fluoropyridine?
2-ethynyl-6-fluoropyridine has a molecular weight of 121.11 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethynyl-6-fluoropyridine is sourced from PubChem (CID 58574354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).