3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde

C16H16N2O2 — CID 46208528

IUPAC3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H16N2O2/c19-12-13-2-1-3-14(10-13)15-4-5-16(17-11-15)18-6-8-20-9-7-18/h1-5,10-12H,6-9H2
InChIKeyHXYUACVPGBCPOC-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.40
Rot. Bonds3

About 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde

3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde (PubChem CID 46208528) has the molecular formula C16H16N2O2 and a molecular weight of 268.32 g/mol. Its IUPAC name is 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde.

Molecular Properties

Compound Name3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
PubChem CID46208528
Molecular FormulaC16H16N2O2
Molecular Weight268.32 g/mol
Exact Mass268.12
IUPAC Name3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde
SMILESO=Cc1cccc(-c2ccc(N3CCOCC3)nc2)c1
InChIInChI=1S/C16H16N2O2/c19-12-13-2-1-3-14(10-13)15-4-5-16(17-11-15)18-6-8-20-9-7-18/h1-5,10-12H,6-9H2
InChIKeyHXYUACVPGBCPOC-UHFFFAOYSA-N
XLogP2.40
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
The IUPAC name of 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde (CID 46208528) is 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde.
What is the SMILES notation for 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
The canonical SMILES for 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde is O=Cc1cccc(-c2ccc(N3CCOCC3)nc2)c1.
What is the InChIKey of 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
The InChIKey is HXYUACVPGBCPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2/c19-12-13-2-1-3-14(10-13)15-4-5-16(17-11-15)18-6-8-20-9-7-18/h1-5,10-12H,6-9H2.
What are the key properties of 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde?
3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde has a molecular weight of 268.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-morpholin-4-yl-3-pyridinyl)benzaldehyde is sourced from PubChem (CID 46208528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).