2-fluoro-5-prop-1-en-2-ylpyridine

C8H8FN — CID 66600333

IUPAC2-fluoro-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccc(F)nc1
InChIInChI=1S/C8H8FN/c1-6(2)7-3-4-8(9)10-5-7/h3-5H,1H2,2H3
InChIKeyJQYBPXNUAJSJBK-UHFFFAOYSA-N
MW137.16 g/mol
LogP2.25
Rot. Bonds1

About 2-fluoro-5-prop-1-en-2-ylpyridine

2-fluoro-5-prop-1-en-2-ylpyridine (PubChem CID 66600333) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is 2-fluoro-5-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name2-fluoro-5-prop-1-en-2-ylpyridine
PubChem CID66600333
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name2-fluoro-5-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccc(F)nc1
InChIInChI=1S/C8H8FN/c1-6(2)7-3-4-8(9)10-5-7/h3-5H,1H2,2H3
InChIKeyJQYBPXNUAJSJBK-UHFFFAOYSA-N
XLogP2.25
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-prop-1-en-2-ylpyridine?
The IUPAC name of 2-fluoro-5-prop-1-en-2-ylpyridine (CID 66600333) is 2-fluoro-5-prop-1-en-2-ylpyridine.
What is the SMILES notation for 2-fluoro-5-prop-1-en-2-ylpyridine?
The canonical SMILES for 2-fluoro-5-prop-1-en-2-ylpyridine is C=C(C)c1ccc(F)nc1.
What is the InChIKey of 2-fluoro-5-prop-1-en-2-ylpyridine?
The InChIKey is JQYBPXNUAJSJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN/c1-6(2)7-3-4-8(9)10-5-7/h3-5H,1H2,2H3.
What are the key properties of 2-fluoro-5-prop-1-en-2-ylpyridine?
2-fluoro-5-prop-1-en-2-ylpyridine has a molecular weight of 137.16 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-prop-1-en-2-ylpyridine is sourced from PubChem (CID 66600333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).