6-(diethylamino)pyridine-3-carbaldehyde

C10H14N2O — CID 2794806

IUPAC6-(diethylamino)pyridine-3-carbaldehyde
SMILESCCN(CC)c1ccc(C=O)cn1
InChIInChI=1S/C10H14N2O/c1-3-12(4-2)10-6-5-9(8-13)7-11-10/h5-8H,3-4H2,1-2H3
InChIKeyPCISUIMHLSRKGR-UHFFFAOYSA-N
MW178.24 g/mol
LogP1.74
Rot. Bonds4

About 6-(diethylamino)pyridine-3-carbaldehyde

6-(diethylamino)pyridine-3-carbaldehyde (PubChem CID 2794806) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 6-(diethylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(diethylamino)pyridine-3-carbaldehyde
PubChem CID2794806
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name6-(diethylamino)pyridine-3-carbaldehyde
SMILESCCN(CC)c1ccc(C=O)cn1
InChIInChI=1S/C10H14N2O/c1-3-12(4-2)10-6-5-9(8-13)7-11-10/h5-8H,3-4H2,1-2H3
InChIKeyPCISUIMHLSRKGR-UHFFFAOYSA-N
XLogP1.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(diethylamino)pyridine-3-carbaldehyde?
The IUPAC name of 6-(diethylamino)pyridine-3-carbaldehyde (CID 2794806) is 6-(diethylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(diethylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(diethylamino)pyridine-3-carbaldehyde is CCN(CC)c1ccc(C=O)cn1.
What is the InChIKey of 6-(diethylamino)pyridine-3-carbaldehyde?
The InChIKey is PCISUIMHLSRKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-12(4-2)10-6-5-9(8-13)7-11-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-(diethylamino)pyridine-3-carbaldehyde?
6-(diethylamino)pyridine-3-carbaldehyde has a molecular weight of 178.24 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 2794806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).