2-(dimethylamino)pyridine-3-carbaldehyde

C8H10N2O — CID 6486610

IUPAC2-(dimethylamino)pyridine-3-carbaldehyde
SMILESCN(C)c1ncccc1C=O
InChIInChI=1S/C8H10N2O/c1-10(2)8-7(6-11)4-3-5-9-8/h3-6H,1-2H3
InChIKeyVVVIFWBMZJTEDQ-UHFFFAOYSA-N
MW150.18 g/mol
LogP0.96
Rot. Bonds2

About 2-(dimethylamino)pyridine-3-carbaldehyde

2-(dimethylamino)pyridine-3-carbaldehyde (PubChem CID 6486610) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-(dimethylamino)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(dimethylamino)pyridine-3-carbaldehyde
PubChem CID6486610
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name2-(dimethylamino)pyridine-3-carbaldehyde
SMILESCN(C)c1ncccc1C=O
InChIInChI=1S/C8H10N2O/c1-10(2)8-7(6-11)4-3-5-9-8/h3-6H,1-2H3
InChIKeyVVVIFWBMZJTEDQ-UHFFFAOYSA-N
XLogP0.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.96
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 2-(dimethylamino)pyridine-3-carbaldehyde?
The IUPAC name of 2-(dimethylamino)pyridine-3-carbaldehyde (CID 6486610) is 2-(dimethylamino)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(dimethylamino)pyridine-3-carbaldehyde?
The canonical SMILES for 2-(dimethylamino)pyridine-3-carbaldehyde is CN(C)c1ncccc1C=O.
What is the InChIKey of 2-(dimethylamino)pyridine-3-carbaldehyde?
The InChIKey is VVVIFWBMZJTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-10(2)8-7(6-11)4-3-5-9-8/h3-6H,1-2H3.
What are the key properties of 2-(dimethylamino)pyridine-3-carbaldehyde?
2-(dimethylamino)pyridine-3-carbaldehyde has a molecular weight of 150.18 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)pyridine-3-carbaldehyde is sourced from PubChem (CID 6486610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).