4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde

C14H13NO4 — CID 22633292

IUPAC4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2cc(O)c(OC)cc2C=O)cn1
InChIInChI=1S/C14H13NO4/c1-18-13-5-10(8-16)11(6-12(13)17)9-3-4-14(19-2)15-7-9/h3-8,17H,1-2H3
InChIKeyPXMYRCOGUGCWFB-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.28
Rot. Bonds4

About 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde

4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde (PubChem CID 22633292) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde
PubChem CID22633292
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde
SMILESCOc1ccc(-c2cc(O)c(OC)cc2C=O)cn1
InChIInChI=1S/C14H13NO4/c1-18-13-5-10(8-16)11(6-12(13)17)9-3-4-14(19-2)15-7-9/h3-8,17H,1-2H3
InChIKeyPXMYRCOGUGCWFB-UHFFFAOYSA-N
XLogP2.28
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methoxy-5-(6-methoxy-3-pyridinyl)-2-methylbenzaldehyde
CID 126763482
2-(2,6-dimethoxyphenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633129
2-bromo-5-fluorobenzaldehyde;5-fluoro-2-(6-methoxy-3-pyridinyl)benzaldehyde
CID 160595364
4-hydroxy-5-methoxy-2-[3-methyl-4-(2-methylpropyl)phenyl]benzaldehyde
CID 22633162
5-(6-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87480245
2-(2,4-dichlorophenyl)-4-hydroxy-5-methoxybenzaldehyde
CID 22633197
benzyl 4-(2-formyl-5-hydroxy-4-methoxyphenyl)benzoate
CID 71580893
3-hydroxy-4-(6-methoxy-3-pyridinyl)benzoic acid
CID 114103385
5-(2,6-dimethoxy-3-pyridinyl)-2-hydroxybenzaldehyde
CID 59784616
6-(6-methoxy-3-pyridinyl)pyridin-3-ol
CID 83128352
5-(4,6-dimethoxy-3-pyridinyl)-2,4-dimethoxybenzaldehyde
CID 150908364
6-methoxypyridine-3-carbaldehyde
CID 3364576

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde?
The IUPAC name of 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde (CID 22633292) is 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde?
The canonical SMILES for 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde is COc1ccc(-c2cc(O)c(OC)cc2C=O)cn1.
What is the InChIKey of 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde?
The InChIKey is PXMYRCOGUGCWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-13-5-10(8-16)11(6-12(13)17)9-3-4-14(19-2)15-7-9/h3-8,17H,1-2H3.
What are the key properties of 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde?
4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde has a molecular weight of 259.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2-(6-methoxy-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 22633292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).