2-ethynyl-3-fluoro-4-methylpyridine

C8H6FN — CID 74888490

IUPAC2-ethynyl-3-fluoro-4-methylpyridine
SMILESC#Cc1nccc(C)c1F
InChIInChI=1S/C8H6FN/c1-3-7-8(9)6(2)4-5-10-7/h1,4-5H,2H3
InChIKeyQVORMZPHUASPBV-UHFFFAOYSA-N
MW135.14 g/mol
LogP1.51
Rot. Bonds

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

2-ethynyl-3-fluoro-4-methylpyridine (PubChem CID 74888490) has the molecular formula C8H6FN and a molecular weight of 135.14 g/mol. Its IUPAC name is 2-ethynyl-3-fluoro-4-methylpyridine.

Molecular Properties

Compound Name2-ethynyl-3-fluoro-4-methylpyridine
PubChem CID74888490
Molecular FormulaC8H6FN
Molecular Weight135.14 g/mol
Exact Mass135.05
IUPAC Name2-ethynyl-3-fluoro-4-methylpyridine
SMILESC#Cc1nccc(C)c1F
InChIInChI=1S/C8H6FN/c1-3-7-8(9)6(2)4-5-10-7/h1,4-5H,2H3
InChIKeyQVORMZPHUASPBV-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 2-ethynyl-3-fluoro-4-methylpyridine?
The IUPAC name of 2-ethynyl-3-fluoro-4-methylpyridine (CID 74888490) is 2-ethynyl-3-fluoro-4-methylpyridine.
What is the SMILES notation for 2-ethynyl-3-fluoro-4-methylpyridine?
The canonical SMILES for 2-ethynyl-3-fluoro-4-methylpyridine is C#Cc1nccc(C)c1F.
What is the InChIKey of 2-ethynyl-3-fluoro-4-methylpyridine?
The InChIKey is QVORMZPHUASPBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN/c1-3-7-8(9)6(2)4-5-10-7/h1,4-5H,2H3.
What are the key properties of 2-ethynyl-3-fluoro-4-methylpyridine?
2-ethynyl-3-fluoro-4-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 2-ethynyl-3-fluoro-4-methylpyridine is sourced from PubChem (CID 74888490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).