1-(2,6-dimethyl-4-pyridinyl)ethanone

C9H11NO — CID 13227323

IUPAC1-(2,6-dimethyl-4-pyridinyl)ethanone
SMILESCC(=O)c1cc(C)nc(C)c1
InChIInChI=1S/C9H11NO/c1-6-4-9(8(3)11)5-7(2)10-6/h4-5H,1-3H3
InChIKeyFLQWILGTHKHWNV-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.90
Rot. Bonds1

About 1-(2,6-dimethyl-4-pyridinyl)ethanone

1-(2,6-dimethyl-4-pyridinyl)ethanone (PubChem CID 13227323) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)ethanone
PubChem CID13227323
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)ethanone
SMILESCC(=O)c1cc(C)nc(C)c1
InChIInChI=1S/C9H11NO/c1-6-4-9(8(3)11)5-7(2)10-6/h4-5H,1-3H3
InChIKeyFLQWILGTHKHWNV-UHFFFAOYSA-N
XLogP1.90
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)ethanone (CID 13227323) is 1-(2,6-dimethyl-4-pyridinyl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)ethanone is CC(=O)c1cc(C)nc(C)c1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)ethanone?
The InChIKey is FLQWILGTHKHWNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-6-4-9(8(3)11)5-7(2)10-6/h4-5H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)ethanone?
1-(2,6-dimethyl-4-pyridinyl)ethanone has a molecular weight of 149.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-4-pyridinyl)ethanone is sourced from PubChem (CID 13227323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).