2-(2,4-dimethoxyphenyl)-5-ethynylpyridine

C15H13NO2 — CID 175646944

IUPAC2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
SMILESC#Cc1ccc(-c2ccc(OC)cc2OC)nc1
InChIInChI=1S/C15H13NO2/c1-4-11-5-8-14(16-10-11)13-7-6-12(17-2)9-15(13)18-3/h1,5-10H,2-3H3
InChIKeyFZINSFWAZFXCKY-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.75
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine

2-(2,4-dimethoxyphenyl)-5-ethynylpyridine (PubChem CID 175646944) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
PubChem CID175646944
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(2,4-dimethoxyphenyl)-5-ethynylpyridine
SMILESC#Cc1ccc(-c2ccc(OC)cc2OC)nc1
InChIInChI=1S/C15H13NO2/c1-4-11-5-8-14(16-10-11)13-7-6-12(17-2)9-15(13)18-3/h1,5-10H,2-3H3
InChIKeyFZINSFWAZFXCKY-UHFFFAOYSA-N
XLogP2.75
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine 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

5-ethynyl-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 175646954
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508542
[5-(2,4-dimethoxyphenyl)-1,3-thiazol-2-yl]methanol
CID 53273851
4-(2,4-dimethoxyphenyl)pyrimidin-2-amine
CID 39733899
N-(4-butylphenyl)-6-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 10453002
3-(2,4-dimethoxyphenyl)pyridazine
CID 90984808
5-fluoro-2-(2-fluoro-4-methoxyphenyl)pyridine
CID 70819002
3,5-bis(2,4-dimethoxyphenyl)-1,2-oxazole
CID 19586357
1-[2-(2,4-dimethoxyphenyl)phenyl]-2,4-dimethoxybenzene
CID 70200625
3-(2,4-dimethoxyphenyl)-6-oxo-1H-pyridazine-5-carbonitrile
CID 82446214
4-ethynyl-2-methoxy-1-phenylbenzene
CID 12788025
6-(4-methoxy-2-methylphenyl)pyridin-3-ol
CID 53229332

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine (CID 175646944) is 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine is C#Cc1ccc(-c2ccc(OC)cc2OC)nc1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine?
The InChIKey is FZINSFWAZFXCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-4-11-5-8-14(16-10-11)13-7-6-12(17-2)9-15(13)18-3/h1,5-10H,2-3H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine?
2-(2,4-dimethoxyphenyl)-5-ethynylpyridine has a molecular weight of 239.27 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-5-ethynylpyridine is sourced from PubChem (CID 175646944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).