4-ethynyl-3-fluoro-2-methylpyridine

C8H6FN — CID 74889099

IUPAC4-ethynyl-3-fluoro-2-methylpyridine
SMILESC#Cc1ccnc(C)c1F
InChIInChI=1S/C8H6FN/c1-3-7-4-5-10-6(2)8(7)9/h1,4-5H,2H3
InChIKeyWOVFPZUNGTZIPF-UHFFFAOYSA-N
MW135.14 g/mol
LogP1.51
Rot. Bonds

About 4-ethynyl-3-fluoro-2-methylpyridine

4-ethynyl-3-fluoro-2-methylpyridine (PubChem CID 74889099) has the molecular formula C8H6FN and a molecular weight of 135.14 g/mol. Its IUPAC name is 4-ethynyl-3-fluoro-2-methylpyridine.

Molecular Properties

Compound Name4-ethynyl-3-fluoro-2-methylpyridine
PubChem CID74889099
Molecular FormulaC8H6FN
Molecular Weight135.14 g/mol
Exact Mass135.05
IUPAC Name4-ethynyl-3-fluoro-2-methylpyridine
SMILESC#Cc1ccnc(C)c1F
InChIInChI=1S/C8H6FN/c1-3-7-4-5-10-6(2)8(7)9/h1,4-5H,2H3
InChIKeyWOVFPZUNGTZIPF-UHFFFAOYSA-N
XLogP1.51
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.14
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethynyl-3-fluoro-2-methylpyridine?
The IUPAC name of 4-ethynyl-3-fluoro-2-methylpyridine (CID 74889099) is 4-ethynyl-3-fluoro-2-methylpyridine.
What is the SMILES notation for 4-ethynyl-3-fluoro-2-methylpyridine?
The canonical SMILES for 4-ethynyl-3-fluoro-2-methylpyridine is C#Cc1ccnc(C)c1F.
What is the InChIKey of 4-ethynyl-3-fluoro-2-methylpyridine?
The InChIKey is WOVFPZUNGTZIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN/c1-3-7-4-5-10-6(2)8(7)9/h1,4-5H,2H3.
What are the key properties of 4-ethynyl-3-fluoro-2-methylpyridine?
4-ethynyl-3-fluoro-2-methylpyridine has a molecular weight of 135.14 g/mol, XLogP of 1.51, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethynyl-3-fluoro-2-methylpyridine is sourced from PubChem (CID 74889099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).