2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine

C20H20FNO2 — CID 19386375

IUPAC2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine
SMILESCCCC1COC(C#Cc2ccc(-c3ccc(F)cc3)nc2)OC1
InChIInChI=1S/C20H20FNO2/c1-2-3-16-13-23-20(24-14-16)11-5-15-4-10-19(22-12-15)17-6-8-18(21)9-7-17/h4,6-10,12,16,20H,2-3,13-14H2,1H3
InChIKeyNXKHCEZGFJNWKQ-UHFFFAOYSA-N
MW325.38 g/mol
LogP4.03
Rot. Bonds3

About 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine

2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine (PubChem CID 19386375) has the molecular formula C20H20FNO2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine
PubChem CID19386375
Molecular FormulaC20H20FNO2
Molecular Weight325.38 g/mol
Exact Mass325.15
IUPAC Name2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine
SMILESCCCC1COC(C#Cc2ccc(-c3ccc(F)cc3)nc2)OC1
InChIInChI=1S/C20H20FNO2/c1-2-3-16-13-23-20(24-14-16)11-5-15-4-10-19(22-12-15)17-6-8-18(21)9-7-17/h4,6-10,12,16,20H,2-3,13-14H2,1H3
InChIKeyNXKHCEZGFJNWKQ-UHFFFAOYSA-N
XLogP4.03
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine?
The IUPAC name of 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine (CID 19386375) is 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine?
The canonical SMILES for 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine is CCCC1COC(C#Cc2ccc(-c3ccc(F)cc3)nc2)OC1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine?
The InChIKey is NXKHCEZGFJNWKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2/c1-2-3-16-13-23-20(24-14-16)11-5-15-4-10-19(22-12-15)17-6-8-18(21)9-7-17/h4,6-10,12,16,20H,2-3,13-14H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine?
2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine has a molecular weight of 325.38 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[2-(5-propyl-1,3-dioxan-2-yl)ethynyl]pyridine is sourced from PubChem (CID 19386375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).