2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde

C20H16N2O4 — CID 157251413

IUPAC2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde
SMILESCC(=O)c1ccc(-c2ccncc2)c(COc2cccc(O)c2C=O)n1
InChIInChI=1S/C20H16N2O4/c1-13(24)17-6-5-15(14-7-9-21-10-8-14)18(22-17)12-26-20-4-2-3-19(25)16(20)11-23/h2-11,25H,12H2,1H3
InChIKeyOKDCGBKVWSYLKM-UHFFFAOYSA-N
MW348.36 g/mol
LogP3.44
Rot. Bonds6

About 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde

2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde (PubChem CID 157251413) has the molecular formula C20H16N2O4 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde
PubChem CID157251413
Molecular FormulaC20H16N2O4
Molecular Weight348.36 g/mol
Exact Mass348.11
IUPAC Name2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde
SMILESCC(=O)c1ccc(-c2ccncc2)c(COc2cccc(O)c2C=O)n1
InChIInChI=1S/C20H16N2O4/c1-13(24)17-6-5-15(14-7-9-21-10-8-14)18(22-17)12-26-20-4-2-3-19(25)16(20)11-23/h2-11,25H,12H2,1H3
InChIKeyOKDCGBKVWSYLKM-UHFFFAOYSA-N
XLogP3.44
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-[(2-formyl-3-hydroxyphenoxy)methyl]pyridine-2-carboxylate
CID 139513796
2-[(5-fluoro-3-pyridinyl)methoxy]-6-hydroxybenzaldehyde
CID 171417612
6-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]pyridine-2-carbaldehyde
CID 146525171
2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 146525241
2-hexoxy-6-hydroxybenzaldehyde
CID 153494115
4-[(2-formyl-3-hydroxyphenoxy)methyl]benzoate;4-[(2-formyl-3-methylphenoxy)methyl]benzoic acid;rubidium(1+)
CID 167566807
3-[(2-formyl-3-hydroxyphenoxy)methyl]-N,N-dimethylthiophene-2-carboxamide
CID 86298339
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
CID 90448314
acetyl acetate;4-[(3-acetyloxy-2-formylphenoxy)methyl]benzoic acid;4-[(2-formyl-3-hydroxyphenoxy)methyl]benzoic acid
CID 167628612
2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 86298334
2-(2-formyl-3-methylphenoxy)ethyl 2-methylprop-2-enoate
CID 129205712
2-[[2-acetyl-5-(2-propan-2-ylpyrazol-3-yl)-1,2,3,6-tetrahydropyridin-4-yl]methoxy]-6-hydroxybenzaldehyde
CID 90456754

Frequently Asked Questions

What is the IUPAC name of 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde (CID 157251413) is 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde is CC(=O)c1ccc(-c2ccncc2)c(COc2cccc(O)c2C=O)n1.
What is the InChIKey of 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
The InChIKey is OKDCGBKVWSYLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4/c1-13(24)17-6-5-15(14-7-9-21-10-8-14)18(22-17)12-26-20-4-2-3-19(25)16(20)11-23/h2-11,25H,12H2,1H3.
What are the key properties of 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde?
2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde has a molecular weight of 348.36 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-acetyl-3-pyridin-4-yl-2-pyridinyl)methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 157251413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).