3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde

C15H15NO3 — CID 126763482

IUPAC3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(C)c(OC)c2)cn1
InChIInChI=1S/C15H15NO3/c1-10-13(9-17)6-12(7-14(10)18-2)11-4-5-15(19-3)16-8-11/h4-9H,1-3H3
InChIKeyUSJGEQYVAWAUJX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.89
Rot. Bonds4

About 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde

3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde (PubChem CID 126763482) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde.

Molecular Properties

Compound Name3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
PubChem CID126763482
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
SMILESCOc1ccc(-c2cc(C=O)c(C)c(OC)c2)cn1
InChIInChI=1S/C15H15NO3/c1-10-13(9-17)6-12(7-14(10)18-2)11-4-5-15(19-3)16-8-11/h4-9H,1-3H3
InChIKeyUSJGEQYVAWAUJX-UHFFFAOYSA-N
XLogP2.89
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde
CID 22633292
5-(6-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87480245
2-methoxy-5-(6-methyl-3-pyridinyl)benzaldehyde
CID 63157778
2-methoxy-4-(6-methoxy-3-pyridinyl)-N-methylaniline
CID 170114993
2-hydroxy-3-methoxy-5-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
CID 59599778
2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde
CID 160595364
6-methoxypyridine-3-carbaldehyde
CID 3364576
3,5-dimethoxy-2-methylbenzaldehyde
CID 10214428
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
1-(6-methoxy-3-pyridinyl)-2,5-dimethylpyrrole-3-carbaldehyde
CID 24694826
ethyl 2-[3-[4-(6-ethoxy-3-pyridinyl)-2-formylphenyl]-4-methoxyphenyl]acetate
CID 58149023
5-(4-iodophenyl)-2-methoxypyridine
CID 121329970

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde?
The IUPAC name of 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde (CID 126763482) is 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde.
What is the SMILES notation for 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde?
The canonical SMILES for 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde is COc1ccc(-c2cc(C=O)c(C)c(OC)c2)cn1.
What is the InChIKey of 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde?
The InChIKey is USJGEQYVAWAUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-13(9-17)6-12(7-14(10)18-2)11-4-5-15(19-3)16-8-11/h4-9H,1-3H3.
What are the key properties of 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde?
3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde is sourced from PubChem (CID 126763482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).