2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde

C19H20N2O4 — CID 86295707

IUPAC2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C19H20N2O4/c22-12-16-17(23)7-3-8-18(16)25-13-15-6-1-2-10-21(15)19(24)14-5-4-9-20-11-14/h3-5,7-9,11-12,15,23H,1-2,6,10,13H2/t15-/m0/s1
InChIKeyDIXJEEIWNGTEBR-HNNXBMFYSA-N
MW340.38 g/mol
LogP2.67
Rot. Bonds5

About 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde

2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (PubChem CID 86295707) has the molecular formula C19H20N2O4 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
PubChem CID86295707
Molecular FormulaC19H20N2O4
Molecular Weight340.38 g/mol
Exact Mass340.14
IUPAC Name2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
SMILESO=Cc1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1cccnc1
InChIInChI=1S/C19H20N2O4/c22-12-16-17(23)7-3-8-18(16)25-13-15-6-1-2-10-21(15)19(24)14-5-4-9-20-11-14/h3-5,7-9,11-12,15,23H,1-2,6,10,13H2/t15-/m0/s1
InChIKeyDIXJEEIWNGTEBR-HNNXBMFYSA-N
XLogP2.67
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.67
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-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde (CID 86295707) is 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is O=Cc1c(O)cccc1OC[C@@H]1CCCCN1C(=O)c1cccnc1.
What is the InChIKey of 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
The InChIKey is DIXJEEIWNGTEBR-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20N2O4/c22-12-16-17(23)7-3-8-18(16)25-13-15-6-1-2-10-21(15)19(24)14-5-4-9-20-11-14/h3-5,7-9,11-12,15,23H,1-2,6,10,13H2/t15-/m0/s1.
What are the key properties of 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde?
2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde has a molecular weight of 340.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[[(2S)-1-(pyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde is sourced from PubChem (CID 86295707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).