2-ethenylidene-1-fluoro-5-methylpyridine

C8H8FN — CID 143722932

IUPAC2-ethenylidene-1-fluoro-5-methylpyridine
SMILESC=C=C1C=CC(C)=CN1F
InChIInChI=1S/C8H8FN/c1-3-8-5-4-7(2)6-10(8)9/h4-6H,1H2,2H3
InChIKeyQFJBFFOGRDCBSO-UHFFFAOYSA-N
MW137.16 g/mol
LogP2.32
Rot. Bonds

About 2-ethenylidene-1-fluoro-5-methylpyridine

2-ethenylidene-1-fluoro-5-methylpyridine (PubChem CID 143722932) has the molecular formula C8H8FN and a molecular weight of 137.16 g/mol. Its IUPAC name is 2-ethenylidene-1-fluoro-5-methylpyridine.

Molecular Properties

Compound Name2-ethenylidene-1-fluoro-5-methylpyridine
PubChem CID143722932
Molecular FormulaC8H8FN
Molecular Weight137.16 g/mol
Exact Mass137.06
IUPAC Name2-ethenylidene-1-fluoro-5-methylpyridine
SMILESC=C=C1C=CC(C)=CN1F
InChIInChI=1S/C8H8FN/c1-3-8-5-4-7(2)6-10(8)9/h4-6H,1H2,2H3
InChIKeyQFJBFFOGRDCBSO-UHFFFAOYSA-N
XLogP2.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethenylidene-1-fluoro-5-methylpyridine?
The IUPAC name of 2-ethenylidene-1-fluoro-5-methylpyridine (CID 143722932) is 2-ethenylidene-1-fluoro-5-methylpyridine.
What is the SMILES notation for 2-ethenylidene-1-fluoro-5-methylpyridine?
The canonical SMILES for 2-ethenylidene-1-fluoro-5-methylpyridine is C=C=C1C=CC(C)=CN1F.
What is the InChIKey of 2-ethenylidene-1-fluoro-5-methylpyridine?
The InChIKey is QFJBFFOGRDCBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FN/c1-3-8-5-4-7(2)6-10(8)9/h4-6H,1H2,2H3.
What are the key properties of 2-ethenylidene-1-fluoro-5-methylpyridine?
2-ethenylidene-1-fluoro-5-methylpyridine has a molecular weight of 137.16 g/mol, XLogP of 2.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylidene-1-fluoro-5-methylpyridine is sourced from PubChem (CID 143722932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).