2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde

C21H24N2O6 — CID 146616678

IUPAC2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde
SMILESC[C@H](O)c1ncccc1C(=O)N1CCOC[C@H]1CCOc1cccc(O)c1C=O
InChIInChI=1S/C21H24N2O6/c1-14(25)20-16(4-3-8-22-20)21(27)23-9-11-28-13-15(23)7-10-29-19-6-2-5-18(26)17(19)12-24/h2-6,8,12,14-15,25-26H,7,9-11,13H2,1H3/t14-,15+/m0/s1
InChIKeyGSGKZRKBWHSBTG-LSDHHAIUSA-N
MW400.43 g/mol
LogP1.96
Rot. Bonds7

About 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde

2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde (PubChem CID 146616678) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde
PubChem CID146616678
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde
SMILESC[C@H](O)c1ncccc1C(=O)N1CCOC[C@H]1CCOc1cccc(O)c1C=O
InChIInChI=1S/C21H24N2O6/c1-14(25)20-16(4-3-8-22-20)21(27)23-9-11-28-13-15(23)7-10-29-19-6-2-5-18(26)17(19)12-24/h2-6,8,12,14-15,25-26H,7,9-11,13H2,1H3/t14-,15+/m0/s1
InChIKeyGSGKZRKBWHSBTG-LSDHHAIUSA-N
XLogP1.96
TPSA109.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-6-[[(3S)-4-[2-(2-hydroxypropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567615
2-hydroxy-6-[[(3R)-4-[2-(1-hydroxyethyl)pyridine-3-carbonyl]thiomorpholin-3-yl]methoxy]benzaldehyde
CID 146567594
2-[(3S)-3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464571
2-[3-[(2-formyl-3-hydroxyphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464572
2-hydroxy-6-[[(3S)-4-[2-(2-hydroxy-2-methylpropyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567643
2-hydroxy-6-[[(3S)-4-[2-(2-methoxyethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567611
2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde;sulfuric acid
CID 175505949
ethanesulfonic acid;2-hydroxy-6-[[4-[2-(2-hydroxyethyl)pyridine-3-carbonyl]morpholin-3-yl]methoxy]benzaldehyde
CID 175505929
2-[[(3S)-4-(2-formylbenzoyl)morpholin-3-yl]methoxy]-6-hydroxybenzaldehyde
CID 146525169
2-hydroxy-6-[[4-[2-(hydroxymethyl)benzoyl]morpholin-3-yl]methoxy]benzaldehyde
CID 146567661
2-[(3S)-3-[(2-formylphenoxy)methyl]morpholine-4-carbonyl]-6-hydroxybenzaldehyde
CID 146464658
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
CID 146464591

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde (CID 146616678) is 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde is C[C@H](O)c1ncccc1C(=O)N1CCOC[C@H]1CCOc1cccc(O)c1C=O.
What is the InChIKey of 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde?
The InChIKey is GSGKZRKBWHSBTG-LSDHHAIUSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-14(25)20-16(4-3-8-22-20)21(27)23-9-11-28-13-15(23)7-10-29-19-6-2-5-18(26)17(19)12-24/h2-6,8,12,14-15,25-26H,7,9-11,13H2,1H3/t14-,15+/m0/s1.
What are the key properties of 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde?
2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde has a molecular weight of 400.43 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[2-[(3R)-4-[2-[(1S)-1-hydroxyethyl]pyridine-3-carbonyl]morpholin-3-yl]ethoxy]benzaldehyde is sourced from PubChem (CID 146616678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).