6-acetyl-2,5-dimethylpyridine-3-carbaldehyde

C10H11NO2 — CID 130047739

IUPAC6-acetyl-2,5-dimethylpyridine-3-carbaldehyde
SMILESCC(=O)c1nc(C)c(C=O)cc1C
InChIInChI=1S/C10H11NO2/c1-6-4-9(5-12)7(2)11-10(6)8(3)13/h4-5H,1-3H3
InChIKeyQZKKSMOPKNUDTG-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.71
Rot. Bonds2

About 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde

6-acetyl-2,5-dimethylpyridine-3-carbaldehyde (PubChem CID 130047739) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-acetyl-2,5-dimethylpyridine-3-carbaldehyde
PubChem CID130047739
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name6-acetyl-2,5-dimethylpyridine-3-carbaldehyde
SMILESCC(=O)c1nc(C)c(C=O)cc1C
InChIInChI=1S/C10H11NO2/c1-6-4-9(5-12)7(2)11-10(6)8(3)13/h4-5H,1-3H3
InChIKeyQZKKSMOPKNUDTG-UHFFFAOYSA-N
XLogP1.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.71
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-acetyl-2,5-dimethylpyridine-3-carbaldehyde?
The IUPAC name of 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde (CID 130047739) is 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde.
What is the SMILES notation for 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde?
The canonical SMILES for 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde is CC(=O)c1nc(C)c(C=O)cc1C.
What is the InChIKey of 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde?
The InChIKey is QZKKSMOPKNUDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c1-6-4-9(5-12)7(2)11-10(6)8(3)13/h4-5H,1-3H3.
What are the key properties of 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde?
6-acetyl-2,5-dimethylpyridine-3-carbaldehyde has a molecular weight of 177.20 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetyl-2,5-dimethylpyridine-3-carbaldehyde is sourced from PubChem (CID 130047739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).