2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine

C16H10FN — CID 70085966

IUPAC2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine
SMILESFC1=C(C#Cc2ccccn2)Cc2ccccc21
InChIInChI=1S/C16H10FN/c17-16-13(8-9-14-6-3-4-10-18-14)11-12-5-1-2-7-15(12)16/h1-7,10H,11H2
InChIKeyIJNOSFTUDMMUOI-UHFFFAOYSA-N
MW235.26 g/mol
LogP3.37
Rot. Bonds

About 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine

2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine (PubChem CID 70085966) has the molecular formula C16H10FN and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine
PubChem CID70085966
Molecular FormulaC16H10FN
Molecular Weight235.26 g/mol
Exact Mass235.08
IUPAC Name2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine
SMILESFC1=C(C#Cc2ccccn2)Cc2ccccc21
InChIInChI=1S/C16H10FN/c17-16-13(8-9-14-6-3-4-10-18-14)11-12-5-1-2-7-15(12)16/h1-7,10H,11H2
InChIKeyIJNOSFTUDMMUOI-UHFFFAOYSA-N
XLogP3.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 53.37
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-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine?
The IUPAC name of 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine (CID 70085966) is 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine.
What is the SMILES notation for 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine?
The canonical SMILES for 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine is FC1=C(C#Cc2ccccn2)Cc2ccccc21.
What is the InChIKey of 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine?
The InChIKey is IJNOSFTUDMMUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN/c17-16-13(8-9-14-6-3-4-10-18-14)11-12-5-1-2-7-15(12)16/h1-7,10H,11H2.
What are the key properties of 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine?
2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine has a molecular weight of 235.26 g/mol, XLogP of 3.37, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluoro-1H-inden-2-yl)ethynyl]pyridine is sourced from PubChem (CID 70085966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).