2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde

C17H16N2O4 — CID 86298334

IUPAC2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1C(=O)N1CCC1
InChIInChI=1S/C17H16N2O4/c20-10-13-14(21)5-1-6-15(13)23-11-12-4-2-7-18-16(12)17(22)19-8-3-9-19/h1-2,4-7,10,21H,3,8-9,11H2
InChIKeyRLJRMYBSHQGAFH-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.02
Rot. Bonds5

About 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde

2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde (PubChem CID 86298334) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
PubChem CID86298334
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1OCc1cccnc1C(=O)N1CCC1
InChIInChI=1S/C17H16N2O4/c20-10-13-14(21)5-1-6-15(13)23-11-12-4-2-7-18-16(12)17(22)19-8-3-9-19/h1-2,4-7,10,21H,3,8-9,11H2
InChIKeyRLJRMYBSHQGAFH-UHFFFAOYSA-N
XLogP2.02
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.02
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

2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 90438070
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
azocan-1-yl-(3-hydroxy-2-pyridinyl)methanone
CID 54861395
ethane;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde
CID 145401287
4-[3-[(2-formyl-3-hydroxyphenoxy)methyl]-2-pyridinyl]furan-2-carbaldehyde
CID 146525168
2-chloro-3-(chloromethyl)pyridine;2-[(2-chloro-3-pyridinyl)methoxy]-6-(methoxymethoxy)benzaldehyde;2-hydroxy-6-(methoxymethoxy)benzaldehyde;methane
CID 157459600
2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
CID 175099546
2-hydroxy-6-[[1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 118953502
3-[(2-methylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63073600
3-[(2-ethylphenoxy)methyl]pyridine-2-carboxylic acid
CID 63074333
3-(chloromethyl)-2-(2-propan-2-ylpyrazol-3-yl)pyridine;2,6-dihydroxybenzaldehyde;2-hydroxy-6-[[2-(2-propan-2-ylpyrazol-3-yl)-3-pyridinyl]methoxy]benzaldehyde;hydrochloride
CID 162079929

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The IUPAC name of 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde (CID 86298334) is 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde.
What is the SMILES notation for 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The canonical SMILES for 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde is O=Cc1c(O)cccc1OCc1cccnc1C(=O)N1CCC1.
What is the InChIKey of 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
The InChIKey is RLJRMYBSHQGAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-10-13-14(21)5-1-6-15(13)23-11-12-4-2-7-18-16(12)17(22)19-8-3-9-19/h1-2,4-7,10,21H,3,8-9,11H2.
What are the key properties of 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde?
2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde has a molecular weight of 312.33 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(azetidine-1-carbonyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde is sourced from PubChem (CID 86298334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).