1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone

C9H13NO — CID 123318041

IUPAC1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone
SMILESCC(=O)C1=CC(C)=CCN1C
InChIInChI=1S/C9H13NO/c1-7-4-5-10(3)9(6-7)8(2)11/h4,6H,5H2,1-3H3
InChIKeyNIJVTELAZUQYMC-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.35
Rot. Bonds1

About 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone

1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone (PubChem CID 123318041) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone
PubChem CID123318041
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone
SMILESCC(=O)C1=CC(C)=CCN1C
InChIInChI=1S/C9H13NO/c1-7-4-5-10(3)9(6-7)8(2)11/h4,6H,5H2,1-3H3
InChIKeyNIJVTELAZUQYMC-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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone?
The IUPAC name of 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone (CID 123318041) is 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone?
The canonical SMILES for 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone is CC(=O)C1=CC(C)=CCN1C.
What is the InChIKey of 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone?
The InChIKey is NIJVTELAZUQYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-4-5-10(3)9(6-7)8(2)11/h4,6H,5H2,1-3H3.
What are the key properties of 1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone?
1-(1,4-dimethyl-2H-pyridin-6-yl)ethanone 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-(1,4-dimethyl-2H-pyridin-6-yl)ethanone is sourced from PubChem (CID 123318041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).