3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine

C20H14FNO — CID 11960784

IUPAC3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine
SMILESCc1cccc(C#Cc2cc(F)cc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H14FNO/c1-15-4-2-5-16(10-15)7-8-17-11-18(21)13-20(12-17)23-19-6-3-9-22-14-19/h2-6,9-14H,1H3
InChIKeyWEOPDBULQIVKIV-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.72
Rot. Bonds2

About 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine

3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine (PubChem CID 11960784) has the molecular formula C20H14FNO and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine.

Molecular Properties

Compound Name3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine
PubChem CID11960784
Molecular FormulaC20H14FNO
Molecular Weight303.34 g/mol
Exact Mass303.11
IUPAC Name3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine
SMILESCc1cccc(C#Cc2cc(F)cc(Oc3cccnc3)c2)c1
InChIInChI=1S/C20H14FNO/c1-15-4-2-5-16(10-15)7-8-17-11-18(21)13-20(12-17)23-19-6-3-9-22-14-19/h2-6,9-14H,1H3
InChIKeyWEOPDBULQIVKIV-UHFFFAOYSA-N
XLogP4.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine?
The IUPAC name of 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine (CID 11960784) is 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine.
What is the SMILES notation for 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine?
The canonical SMILES for 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine is Cc1cccc(C#Cc2cc(F)cc(Oc3cccnc3)c2)c1.
What is the InChIKey of 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine?
The InChIKey is WEOPDBULQIVKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FNO/c1-15-4-2-5-16(10-15)7-8-17-11-18(21)13-20(12-17)23-19-6-3-9-22-14-19/h2-6,9-14H,1H3.
What are the key properties of 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine?
3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine has a molecular weight of 303.34 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-fluoro-5-[2-(3-methylphenyl)ethynyl]phenoxy]pyridine is sourced from PubChem (CID 11960784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).