5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde

C15H15NO3 — CID 91511347

IUPAC5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
SMILESCOc1cc(C=O)c(-c2cccnc2OC)cc1C
InChIInChI=1S/C15H15NO3/c1-10-7-13(11(9-17)8-14(10)18-2)12-5-4-6-16-15(12)19-3/h4-9H,1-3H3
InChIKeyBVJFXTKUYQVIFE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.89
Rot. Bonds4

About 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde

5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde (PubChem CID 91511347) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
PubChem CID91511347
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde
SMILESCOc1cc(C=O)c(-c2cccnc2OC)cc1C
InChIInChI=1S/C15H15NO3/c1-10-7-13(11(9-17)8-14(10)18-2)12-5-4-6-16-15(12)19-3/h4-9H,1-3H3
InChIKeyBVJFXTKUYQVIFE-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-tert-butyl-5-methoxy-2-(2-phenylmethoxy-3-pyridinyl)benzaldehyde
CID 59309481
3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine
CID 131981623
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
2-methoxypyridine-3-carbaldehyde;phosphoric acid
CID 172754145
3-(4-methoxy-2,5-dimethylphenyl)pyridine-2-carboxylic acid
CID 107525139
methyl 4-(2-methoxy-3-pyridinyl)-3-methylbenzoate
CID 67528907
4-(3-methoxy-2-pyridinyl)-6-methylpyridine-3-carbaldehyde
CID 167102927
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
2-(4-methoxy-3-methylphenyl)benzaldehyde
CID 54910312
2-(2-fluoro-3-methoxyphenyl)-4,5-dimethoxybenzaldehyde
CID 82791666
3-(2-methoxyphenyl)pyridine-2-carbaldehyde
CID 86594750
2,3-dimethoxy-5-(8-methoxyquinolin-5-yl)benzaldehyde
CID 82039986

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde?
The IUPAC name of 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde (CID 91511347) is 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde.
What is the SMILES notation for 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde?
The canonical SMILES for 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde is COc1cc(C=O)c(-c2cccnc2OC)cc1C.
What is the InChIKey of 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde?
The InChIKey is BVJFXTKUYQVIFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-7-13(11(9-17)8-14(10)18-2)12-5-4-6-16-15(12)19-3/h4-9H,1-3H3.
What are the key properties of 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde?
5-methoxy-2-(2-methoxy-3-pyridinyl)-4-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 5-methoxy-2-(2-methoxy-3-pyridinyl)-4-methylbenzaldehyde is sourced from PubChem (CID 91511347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).