4-[2-(4-methoxyphenyl)ethynyl]pyridine

C14H11NO — CID 4595253

IUPAC4-[2-(4-methoxyphenyl)ethynyl]pyridine
SMILESCOc1ccc(C#Cc2ccncc2)cc1
InChIInChI=1S/C14H11NO/c1-16-14-6-4-12(5-7-14)2-3-13-8-10-15-11-9-13/h4-11H,1H3
InChIKeyYLGABGCTQMOWDL-UHFFFAOYSA-N
MW209.25 g/mol
LogP2.49
Rot. Bonds1

About 4-[2-(4-methoxyphenyl)ethynyl]pyridine

4-[2-(4-methoxyphenyl)ethynyl]pyridine (PubChem CID 4595253) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 4-[2-(4-methoxyphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name4-[2-(4-methoxyphenyl)ethynyl]pyridine
PubChem CID4595253
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name4-[2-(4-methoxyphenyl)ethynyl]pyridine
SMILESCOc1ccc(C#Cc2ccncc2)cc1
InChIInChI=1S/C14H11NO/c1-16-14-6-4-12(5-7-14)2-3-13-8-10-15-11-9-13/h4-11H,1H3
InChIKeyYLGABGCTQMOWDL-UHFFFAOYSA-N
XLogP2.49
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis[2-[4-[2-(4-methoxyphenyl)ethynyl]phenyl]ethynyl]-dimethylsilane
CID 101413036
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
1-[3,5-bis[2-(4-methoxyphenyl)ethynyl]phenyl]-3,5-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 102282889
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
2-[2-(4-methoxyphenyl)ethynyl]pyridine-4-carbonitrile
CID 167435441
1,3-bis[2-(4-methoxyphenyl)ethynyl]-5-[2-(4-methylphenyl)ethynyl]benzene
CID 159712013
2-[2-(4-methoxyphenyl)ethynyl]thiophene
CID 46218240
(1Z,3Z,5Z,7Z)-1,2,5,6-tetrakis(4-methoxyphenyl)-3,4,7,8-tetrakis[2-(4-methoxyphenyl)ethynyl]cycloocta-1,3,5,7-tetraene
CID 101073094
CID 159103902
CID 159103902
4-[1,2,2-tris(4-methoxyphenyl)ethenyl]pyridine
CID 121329846
ditert-butyl-[2-(4-methoxyphenyl)ethynyl]phosphane
CID 102405659
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methoxyphenyl)ethynyl]pyridine?
The IUPAC name of 4-[2-(4-methoxyphenyl)ethynyl]pyridine (CID 4595253) is 4-[2-(4-methoxyphenyl)ethynyl]pyridine.
What is the SMILES notation for 4-[2-(4-methoxyphenyl)ethynyl]pyridine?
The canonical SMILES for 4-[2-(4-methoxyphenyl)ethynyl]pyridine is COc1ccc(C#Cc2ccncc2)cc1.
What is the InChIKey of 4-[2-(4-methoxyphenyl)ethynyl]pyridine?
The InChIKey is YLGABGCTQMOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO/c1-16-14-6-4-12(5-7-14)2-3-13-8-10-15-11-9-13/h4-11H,1H3.
What are the key properties of 4-[2-(4-methoxyphenyl)ethynyl]pyridine?
4-[2-(4-methoxyphenyl)ethynyl]pyridine has a molecular weight of 209.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methoxyphenyl)ethynyl]pyridine is sourced from PubChem (CID 4595253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).