5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine

C10H14FN — CID 130614205

IUPAC5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine
SMILESC#CCCCN1CCC=C(F)C1
InChIInChI=1S/C10H14FN/c1-2-3-4-7-12-8-5-6-10(11)9-12/h1,6H,3-5,7-9H2
InChIKeyNWKAQWYIKSBLKN-UHFFFAOYSA-N
MW167.23 g/mol
LogP1.96
Rot. Bonds3

About 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine

5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine (PubChem CID 130614205) has the molecular formula C10H14FN and a molecular weight of 167.23 g/mol. Its IUPAC name is 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine
PubChem CID130614205
Molecular FormulaC10H14FN
Molecular Weight167.23 g/mol
Exact Mass167.11
IUPAC Name5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine
SMILESC#CCCCN1CCC=C(F)C1
InChIInChI=1S/C10H14FN/c1-2-3-4-7-12-8-5-6-10(11)9-12/h1,6H,3-5,7-9H2
InChIKeyNWKAQWYIKSBLKN-UHFFFAOYSA-N
XLogP1.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine (CID 130614205) is 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine is C#CCCCN1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
The InChIKey is NWKAQWYIKSBLKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN/c1-2-3-4-7-12-8-5-6-10(11)9-12/h1,6H,3-5,7-9H2.
What are the key properties of 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine?
5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine has a molecular weight of 167.23 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-pent-4-ynyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130614205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).