2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde

C20H15NO4 — CID 146525241

IUPAC2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1cccc(-c2ncccc2COc2cccc(O)c2C=O)c1
InChIInChI=1S/C20H15NO4/c22-11-14-4-1-5-15(10-14)20-16(6-3-9-21-20)13-25-19-8-2-7-18(24)17(19)12-23/h1-12,24H,13H2
InChIKeyRDGTYVQMYPESMZ-UHFFFAOYSA-N
MW333.34 g/mol
LogP3.66
Rot. Bonds6

About 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde

2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 146525241) has the molecular formula C20H15NO4 and a molecular weight of 333.34 g/mol. Its IUPAC name is 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
PubChem CID146525241
Molecular FormulaC20H15NO4
Molecular Weight333.34 g/mol
Exact Mass333.10
IUPAC Name2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1cccc(-c2ncccc2COc2cccc(O)c2C=O)c1
InChIInChI=1S/C20H15NO4/c22-11-14-4-1-5-15(10-14)20-16(6-3-9-21-20)13-25-19-8-2-7-18(24)17(19)12-23/h1-12,24H,13H2
InChIKeyRDGTYVQMYPESMZ-UHFFFAOYSA-N
XLogP3.66
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde (CID 146525241) is 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde is O=Cc1cccc(-c2ncccc2COc2cccc(O)c2C=O)c1.
What is the InChIKey of 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is RDGTYVQMYPESMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO4/c22-11-14-4-1-5-15(10-14)20-16(6-3-9-21-20)13-25-19-8-2-7-18(24)17(19)12-23/h1-12,24H,13H2.
What are the key properties of 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 333.34 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 146525241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).