2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine

C24H19NO3 — CID 171920267

IUPAC2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine
SMILESCOc1cccc(C#Cc2cccc(C#Cc3cc(OC)cc(OC)c3)n2)c1
InChIInChI=1S/C24H19NO3/c1-26-22-9-4-6-18(14-22)10-12-20-7-5-8-21(25-20)13-11-19-15-23(27-2)17-24(16-19)28-3/h4-9,14-17H,1-3H3
InChIKeyWBLDVOGTHQZVHC-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.91
Rot. Bonds3

About 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine

2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine (PubChem CID 171920267) has the molecular formula C24H19NO3 and a molecular weight of 369.42 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine
PubChem CID171920267
Molecular FormulaC24H19NO3
Molecular Weight369.42 g/mol
Exact Mass369.14
IUPAC Name2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine
SMILESCOc1cccc(C#Cc2cccc(C#Cc3cc(OC)cc(OC)c3)n2)c1
InChIInChI=1S/C24H19NO3/c1-26-22-9-4-6-18(14-22)10-12-20-7-5-8-21(25-20)13-11-19-15-23(27-2)17-24(16-19)28-3/h4-9,14-17H,1-3H3
InChIKeyWBLDVOGTHQZVHC-UHFFFAOYSA-N
XLogP3.91
TPSA40.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,7-bis[2-(3-methoxyphenyl)ethynyl]naphthalene
CID 171920371
2-[2-[3-[2-(3,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 170459634
4-[2-(3-methoxyphenyl)ethynyl]-1,3-thiazol-2-amine
CID 51050147
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethynyl]benzene
CID 11673405
2,5-dichloro-4,6-bis[2-(3-methoxyphenyl)ethynyl]pyrimidine
CID 53391604
2-[2-(3,5-dimethoxyphenyl)ethynyl]-9-[2-(3,4,5-trimethoxyphenyl)ethynyl]-1,10-phenanthroline
CID 171920243
1,3-bis[2-(4-methoxyphenyl)ethynyl]benzene
CID 170459723
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-[2-[2-[2-(3,5-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-3,5-dimethoxybenzene
CID 170457008
3-chloro-5-[2-(3-methoxyphenyl)ethynyl]pyridine
CID 67047870
1-ethynyl-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 25117715
tris(1,3-dimethoxybenzene);phosphane
CID 160853878

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine (CID 171920267) is 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine is COc1cccc(C#Cc2cccc(C#Cc3cc(OC)cc(OC)c3)n2)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine?
The InChIKey is WBLDVOGTHQZVHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO3/c1-26-22-9-4-6-18(14-22)10-12-20-7-5-8-21(25-20)13-11-19-15-23(27-2)17-24(16-19)28-3/h4-9,14-17H,1-3H3.
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine?
2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine has a molecular weight of 369.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)ethynyl]-6-[2-(3-methoxyphenyl)ethynyl]pyridine is sourced from PubChem (CID 171920267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).