5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde

C21H17N3O3 — CID 118372138

IUPAC5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde
SMILESCOc1ncccc1-c1ncccc1COc1ccc2c(c1C=O)CN=C2
InChIInChI=1S/C21H17N3O3/c1-26-21-16(5-3-9-24-21)20-15(4-2-8-23-20)13-27-19-7-6-14-10-22-11-17(14)18(19)12-25/h2-10,12H,11,13H2,1H3
InChIKeyKJMXNTORJFURQF-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.48
Rot. Bonds6

About 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde

5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde (PubChem CID 118372138) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde.

Molecular Properties

Compound Name5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde
PubChem CID118372138
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde
SMILESCOc1ncccc1-c1ncccc1COc1ccc2c(c1C=O)CN=C2
InChIInChI=1S/C21H17N3O3/c1-26-21-16(5-3-9-24-21)20-15(4-2-8-23-20)13-27-19-7-6-14-10-22-11-17(14)18(19)12-25/h2-10,12H,11,13H2,1H3
InChIKeyKJMXNTORJFURQF-UHFFFAOYSA-N
XLogP3.48
TPSA73.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-propan-2-ylpyrazol-3-yl)cyclohexen-1-yl]methoxy]-3H-isoindole-4-carbaldehyde
CID 118372104
2,4-bis[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]pyridine-3-carbaldehyde
CID 129254370
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
CID 90448314
6-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]pyridine-2-carbaldehyde
CID 146525171
3-chloro-2-methyl-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 90438097
2-(methylamino)-6-[[2-(1H-pyrazol-5-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 138552520
2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 146525241
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)
CID 159760021
2-methoxy-5-[(2-phenyl-3-pyridinyl)methoxy]pyridine-4-carbaldehyde
CID 85472987
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
2-methoxy-3-(methoxymethyl)pyridine
CID 67266398

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde?
The IUPAC name of 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde (CID 118372138) is 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde.
What is the SMILES notation for 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde?
The canonical SMILES for 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde is COc1ncccc1-c1ncccc1COc1ccc2c(c1C=O)CN=C2.
What is the InChIKey of 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde?
The InChIKey is KJMXNTORJFURQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-26-21-16(5-3-9-24-21)20-15(4-2-8-23-20)13-27-19-7-6-14-10-22-11-17(14)18(19)12-25/h2-10,12H,11,13H2,1H3.
What are the key properties of 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde?
5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde has a molecular weight of 359.39 g/mol, XLogP of 3.48, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde is sourced from PubChem (CID 118372138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).