1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine

C9H12FN — CID 130628658

IUPAC1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESC#CCCN1CCC=C(F)C1
InChIInChI=1S/C9H12FN/c1-2-3-6-11-7-4-5-9(10)8-11/h1,5H,3-4,6-8H2
InChIKeyUKMGTDXOPPWLLM-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.57
Rot. Bonds2

About 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine

1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 130628658) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID130628658
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESC#CCCN1CCC=C(F)C1
InChIInChI=1S/C9H12FN/c1-2-3-6-11-7-4-5-9(10)8-11/h1,5H,3-4,6-8H2
InChIKeyUKMGTDXOPPWLLM-UHFFFAOYSA-N
XLogP1.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.57
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 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine (CID 130628658) is 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine is C#CCCN1CCC=C(F)C1.
What is the InChIKey of 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is UKMGTDXOPPWLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c1-2-3-6-11-7-4-5-9(10)8-11/h1,5H,3-4,6-8H2.
What are the key properties of 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine?
1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 153.20 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-ynyl-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130628658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).