7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde

C15H13NO4 — CID 154117618

IUPAC7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde
SMILESCOc1ccc(C2OCc3c2cnc(C=O)c3O)cc1
InChIInChI=1S/C15H13NO4/c1-19-10-4-2-9(3-5-10)15-11-6-16-13(7-17)14(18)12(11)8-20-15/h2-7,15,18H,8H2,1H3
InChIKeyIKWMZNFDXDHOOL-UHFFFAOYSA-N
MW271.27 g/mol
LogP2.23
Rot. Bonds3

About 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde

7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde (PubChem CID 154117618) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde.

Molecular Properties

Compound Name7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde
PubChem CID154117618
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde
SMILESCOc1ccc(C2OCc3c2cnc(C=O)c3O)cc1
InChIInChI=1S/C15H13NO4/c1-19-10-4-2-9(3-5-10)15-11-6-16-13(7-17)14(18)12(11)8-20-15/h2-7,15,18H,8H2,1H3
InChIKeyIKWMZNFDXDHOOL-UHFFFAOYSA-N
XLogP2.23
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 11818893
2-(4-methoxyphenyl)oxolane-3-carbaldehyde
CID 2763136
2-(1,3-dioxolan-2-yl)-1-(4-methoxyphenyl)ethanone
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2-(4-methoxyphenyl)-1,3-dioxan-5-ol
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2-(4-methoxyphenyl)-5-methylidene-1,3-dioxane
CID 18704700
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
3-(4-methoxyphenyl)-6-methyloxan-2-one
CID 70805918
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
4-(4-methoxyphenyl)-2-methyloxolane
CID 173252493

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde?
The IUPAC name of 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde (CID 154117618) is 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde.
What is the SMILES notation for 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde?
The canonical SMILES for 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde is COc1ccc(C2OCc3c2cnc(C=O)c3O)cc1.
What is the InChIKey of 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde?
The InChIKey is IKWMZNFDXDHOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-19-10-4-2-9(3-5-10)15-11-6-16-13(7-17)14(18)12(11)8-20-15/h2-7,15,18H,8H2,1H3.
What are the key properties of 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde?
7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde has a molecular weight of 271.27 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(4-methoxyphenyl)-1,3-dihydrofuro[3,4-c]pyridine-6-carbaldehyde is sourced from PubChem (CID 154117618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).