4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde

C28H26N2O5 — CID 158569156

IUPAC4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde
SMILESCOc1ccc(-c2ccncc2)cc1C1OCCO1.COc1ccc(-c2ccncc2)cc1C=O
InChIInChI=1S/C15H15NO3.C13H11NO2/c1-17-14-3-2-12(11-4-6-16-7-5-11)10-13(14)15-18-8-9-19-15;1-16-13-3-2-11(8-12(13)9-15)10-4-6-14-7-5-10/h2-7,10,15H,8-9H2,1H3;2-9H,1H3
InChIKeyHRWDIRDBFYXKEC-UHFFFAOYSA-N
MW470.53 g/mol
LogP5.37
Rot. Bonds6

About 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde

4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde (PubChem CID 158569156) has the molecular formula C28H26N2O5 and a molecular weight of 470.53 g/mol. Its IUPAC name is 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde.

Molecular Properties

Compound Name4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde
PubChem CID158569156
Molecular FormulaC28H26N2O5
Molecular Weight470.53 g/mol
Exact Mass470.18
IUPAC Name4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde
SMILESCOc1ccc(-c2ccncc2)cc1C1OCCO1.COc1ccc(-c2ccncc2)cc1C=O
InChIInChI=1S/C15H15NO3.C13H11NO2/c1-17-14-3-2-12(11-4-6-16-7-5-11)10-13(14)15-18-8-9-19-15;1-16-13-3-2-11(8-12(13)9-15)10-4-6-14-7-5-10/h2-7,10,15H,8-9H2,1H3;2-9H,1H3
InChIKeyHRWDIRDBFYXKEC-UHFFFAOYSA-N
XLogP5.37
TPSA79.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.53
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-pyridin-4-ylbenzaldehyde
CID 164891675
N-cyclohexyl-1-(2-methoxy-5-pyridin-4-ylphenyl)methanimine
CID 71097189
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
5-[4-(dimethylamino)phenyl]-2-methoxybenzaldehyde
CID 54912342
N-[4-(3-formyl-4-methoxyphenyl)phenyl]acetamide
CID 58902871
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
5-[1-(1,3-dioxolan-2-yl)ethyl]-2-methoxybenzaldehyde
CID 10466628
5-(2,6-dimethoxyphenyl)-2-methoxybenzaldehyde
CID 116810898
(E)-3-[3-(1,3-dioxan-2-yl)-4-methoxyphenyl]-2-pyridin-4-ylprop-2-enenitrile
CID 70232404
5-(3-bromophenyl)-2-methoxybenzaldehyde
CID 115503832
5-(3-chlorothiophen-2-yl)-2-methoxybenzaldehyde
CID 107360530
2-methoxy-5-(thiadiazol-4-yl)benzaldehyde
CID 22620096

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde?
The IUPAC name of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde (CID 158569156) is 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde.
What is the SMILES notation for 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde?
The canonical SMILES for 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde is COc1ccc(-c2ccncc2)cc1C1OCCO1.COc1ccc(-c2ccncc2)cc1C=O.
What is the InChIKey of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde?
The InChIKey is HRWDIRDBFYXKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3.C13H11NO2/c1-17-14-3-2-12(11-4-6-16-7-5-11)10-13(14)15-18-8-9-19-15;1-16-13-3-2-11(8-12(13)9-15)10-4-6-14-7-5-10/h2-7,10,15H,8-9H2,1H3;2-9H,1H3.
What are the key properties of 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde?
4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde has a molecular weight of 470.53 g/mol, XLogP of 5.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-dioxolan-2-yl)-4-methoxyphenyl]pyridine;2-methoxy-5-pyridin-4-ylbenzaldehyde is sourced from PubChem (CID 158569156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).