2,6-dimethylpyridine-3-carbaldehyde

C8H9NO — CID 2784753

IUPAC2,6-dimethylpyridine-3-carbaldehyde
SMILESCc1ccc(C=O)c(C)n1
InChIInChI=1S/C8H9NO/c1-6-3-4-8(5-10)7(2)9-6/h3-5H,1-2H3
InChIKeyXTCAIKSFUUMBTP-UHFFFAOYSA-N
MW135.17 g/mol
LogP1.51
Rot. Bonds1

About 2,6-dimethylpyridine-3-carbaldehyde

2,6-dimethylpyridine-3-carbaldehyde (PubChem CID 2784753) has the molecular formula C8H9NO and a molecular weight of 135.17 g/mol. Its IUPAC name is 2,6-dimethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name2,6-dimethylpyridine-3-carbaldehyde
PubChem CID2784753
Molecular FormulaC8H9NO
Molecular Weight135.17 g/mol
Exact Mass135.07
IUPAC Name2,6-dimethylpyridine-3-carbaldehyde
SMILESCc1ccc(C=O)c(C)n1
InChIInChI=1S/C8H9NO/c1-6-3-4-8(5-10)7(2)9-6/h3-5H,1-2H3
InChIKeyXTCAIKSFUUMBTP-UHFFFAOYSA-N
XLogP1.51
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyridine-3-carbaldehyde?
The IUPAC name of 2,6-dimethylpyridine-3-carbaldehyde (CID 2784753) is 2,6-dimethylpyridine-3-carbaldehyde.
What is the SMILES notation for 2,6-dimethylpyridine-3-carbaldehyde?
The canonical SMILES for 2,6-dimethylpyridine-3-carbaldehyde is Cc1ccc(C=O)c(C)n1.
What is the InChIKey of 2,6-dimethylpyridine-3-carbaldehyde?
The InChIKey is XTCAIKSFUUMBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO/c1-6-3-4-8(5-10)7(2)9-6/h3-5H,1-2H3.
What are the key properties of 2,6-dimethylpyridine-3-carbaldehyde?
2,6-dimethylpyridine-3-carbaldehyde has a molecular weight of 135.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyridine-3-carbaldehyde is sourced from PubChem (CID 2784753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).