3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde

C15H16N2O4 — CID 103173022

IUPAC3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCOc1ccnc(COc2ccc(C)nc2C=O)c1OC
InChIInChI=1S/C15H16N2O4/c1-10-4-5-13(11(8-18)17-10)21-9-12-15(20-3)14(19-2)6-7-16-12/h4-8H,9H2,1-3H3
InChIKeyQSCWDXFVLTVZSX-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.19
Rot. Bonds6

About 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde

3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde (PubChem CID 103173022) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde.

Molecular Properties

Compound Name3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde
PubChem CID103173022
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde
SMILESCOc1ccnc(COc2ccc(C)nc2C=O)c1OC
InChIInChI=1S/C15H16N2O4/c1-10-4-5-13(11(8-18)17-10)21-9-12-15(20-3)14(19-2)6-7-16-12/h4-8H,9H2,1-3H3
InChIKeyQSCWDXFVLTVZSX-UHFFFAOYSA-N
XLogP2.19
TPSA70.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.19
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

3-[(2-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929164
6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine-2-carbaldehyde
CID 79267439
2-[(2-bromophenoxy)methyl]-3,4-dimethoxypyridine
CID 103172955
3-[(3-methoxyphenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 78929137
4-[(3,4-dimethoxy-2-pyridinyl)methoxy]-3,5-dimethylaniline
CID 103171992
3-[(3,5-difluorophenyl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 105403665
2-[(3,4-dimethoxy-2-pyridinyl)methoxy]aniline
CID 103171960
6-methyl-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]pyridine-2-carbaldehyde
CID 79035489
6-methyl-3-(quinolin-8-ylmethoxy)pyridine-2-carbaldehyde
CID 78929085
3-(3-hydroxy-2-methylpropoxy)-6-methylpyridine-2-carbaldehyde
CID 115871044
3-[(2,5-dimethylpyrazol-3-yl)methoxy]-6-methylpyridine-2-carbaldehyde
CID 79158515
3,4-dimethoxy-2-[(2-propan-2-ylphenoxy)methyl]pyridine
CID 103174172

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The IUPAC name of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde (CID 103173022) is 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde.
What is the SMILES notation for 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The canonical SMILES for 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde is COc1ccnc(COc2ccc(C)nc2C=O)c1OC.
What is the InChIKey of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde?
The InChIKey is QSCWDXFVLTVZSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10-4-5-13(11(8-18)17-10)21-9-12-15(20-3)14(19-2)6-7-16-12/h4-8H,9H2,1-3H3.
What are the key properties of 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde?
3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde has a molecular weight of 288.30 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxy-2-pyridinyl)methoxy]-6-methylpyridine-2-carbaldehyde is sourced from PubChem (CID 103173022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).