1,4,6-trimethyl-2H-pyridine-3-carbaldehyde

C9H13NO — CID 170948410

IUPAC1,4,6-trimethyl-2H-pyridine-3-carbaldehyde
SMILESCC1=CC(C)=C(C=O)CN1C
InChIInChI=1S/C9H13NO/c1-7-4-8(2)10(3)5-9(7)6-11/h4,6H,5H2,1-3H3
InChIKeyUZNOQGUFKHSRRM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds1

About 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde

1,4,6-trimethyl-2H-pyridine-3-carbaldehyde (PubChem CID 170948410) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde.

Molecular Properties

Compound Name1,4,6-trimethyl-2H-pyridine-3-carbaldehyde
PubChem CID170948410
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1,4,6-trimethyl-2H-pyridine-3-carbaldehyde
SMILESCC1=CC(C)=C(C=O)CN1C
InChIInChI=1S/C9H13NO/c1-7-4-8(2)10(3)5-9(7)6-11/h4,6H,5H2,1-3H3
InChIKeyUZNOQGUFKHSRRM-UHFFFAOYSA-N
XLogP1.35
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde?
The IUPAC name of 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde (CID 170948410) is 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde.
What is the SMILES notation for 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde?
The canonical SMILES for 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde is CC1=CC(C)=C(C=O)CN1C.
What is the InChIKey of 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde?
The InChIKey is UZNOQGUFKHSRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-8(2)10(3)5-9(7)6-11/h4,6H,5H2,1-3H3.
What are the key properties of 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde?
1,4,6-trimethyl-2H-pyridine-3-carbaldehyde has a molecular weight of 151.21 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-2H-pyridine-3-carbaldehyde is sourced from PubChem (CID 170948410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).