4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine

C20H20N2O2 — CID 102223892

IUPAC4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine
SMILESCCOc1cc(-c2ccncc2)c(OCC)cc1-c1ccncc1
InChIInChI=1S/C20H20N2O2/c1-3-23-19-13-18(16-7-11-22-12-8-16)20(24-4-2)14-17(19)15-5-9-21-10-6-15/h5-14H,3-4H2,1-2H3
InChIKeyXLRCCUWUIRHXSE-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.61
Rot. Bonds6

About 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine

4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine (PubChem CID 102223892) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine.

Molecular Properties

Compound Name4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine
PubChem CID102223892
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine
SMILESCCOc1cc(-c2ccncc2)c(OCC)cc1-c1ccncc1
InChIInChI=1S/C20H20N2O2/c1-3-23-19-13-18(16-7-11-22-12-8-16)20(24-4-2)14-17(19)15-5-9-21-10-6-15/h5-14H,3-4H2,1-2H3
InChIKeyXLRCCUWUIRHXSE-UHFFFAOYSA-N
XLogP4.61
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 127928
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N,N-diethyl-3-(6-methyl-8-phenyl-5,6,7,8-tetrahydro-2,6-naphthyridin-3-yloxy)propan-1-amine
CID 15983457
4-[1-Hydroxy-7-(trifluoromethyl)-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 155519661
4-[(3R)-1-hydroxy-7-(trifluoromethyl)-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide;hydrochloride
CID 155557718
Quinoline, 4-(2,5-dimethoxystyryl)-
CID 5929717
3-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)pyridine
CID 25180306
3-methyl-2-[(1S)-1-phenylethoxy]-4-(piperidin-4-yl)pyridine
CID 25263334
6-Phenyl-7-(piperidin-3-ylmethoxy)isoquinoline
CID 42618154
3-(3-(3-Chlorobenzyloxy)-5-methylphenyl)pyridine
CID 44409820
3-(Piperidin-4-yl)-2-(o-tolyloxy)pyridine
CID 46230706
4''-(6-Methoxypyridin-3-yl)biphenyl-3-ol
CID 46887511

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine?
The IUPAC name of 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine (CID 102223892) is 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine.
What is the SMILES notation for 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine?
The canonical SMILES for 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine is CCOc1cc(-c2ccncc2)c(OCC)cc1-c1ccncc1.
What is the InChIKey of 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine?
The InChIKey is XLRCCUWUIRHXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-3-23-19-13-18(16-7-11-22-12-8-16)20(24-4-2)14-17(19)15-5-9-21-10-6-15/h5-14H,3-4H2,1-2H3.
What are the key properties of 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine?
4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine has a molecular weight of 320.39 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diethoxy-4-pyridin-4-ylphenyl)pyridine is sourced from PubChem (CID 102223892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).