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

C9H13NO — CID 67799466

IUPAC1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C(C)=CC=CC1C
InChIInChI=1S/C9H13NO/c1-7-5-4-6-8(2)10(7)9(3)11/h4-7H,1-3H3
InChIKeyMGLNFPCHLRALAY-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.70
Rot. Bonds

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

1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone (PubChem CID 67799466) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone
PubChem CID67799466
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone
SMILESCC(=O)N1C(C)=CC=CC1C
InChIInChI=1S/C9H13NO/c1-7-5-4-6-8(2)10(7)9(3)11/h4-7H,1-3H3
InChIKeyMGLNFPCHLRALAY-UHFFFAOYSA-N
XLogP1.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-4,6-dimethyl-2(1H)-pyridone
CID 21538594
1-[4-(dimethylamino)-2H-pyridin-1-yl]ethanone
CID 91235568
2,2,2-trifluoro-1-(2-methyl-2H-pyridin-1-yl)ethanone
CID 121422648
2(1H)-Pyridinone, 1,4,6-trimethyl-
CID 586244
1-(2,5-Dimethyl-2,5-dihydropyrrol-1-yl)ethanone
CID 23566460
1-(1-methyl-2-propenyl)-2(1H)-pyridinone
CID 24974754
1-[(2R)-but-3-en-2-yl]pyridin-2-one
CID 134967382
4,6-Dimethyl-1-prop-2-enylpyridin-2-one
CID 86080282
6-Ethyl-1-methylpyridin-2-one
CID 12273216
6-Isopropyl-1-methylpyridin-2(1H)-one
CID 12273218
6-Tert-butyl-1-methylpyridin-2-one
CID 12273219
N-cyclohexa-1,5-dien-1-yl-N-methylpropanamide
CID 18707358

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone?
The IUPAC name of 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone (CID 67799466) is 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone is CC(=O)N1C(C)=CC=CC1C.
What is the InChIKey of 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone?
The InChIKey is MGLNFPCHLRALAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-7-5-4-6-8(2)10(7)9(3)11/h4-7H,1-3H3.
What are the key properties of 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone?
1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone has a molecular weight of 151.21 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethyl-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 67799466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).