1-(2,6-dimethyl-4-pyridinyl)propan-2-one

C10H13NO — CID 12521822

IUPAC1-(2,6-dimethyl-4-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(C)nc(C)c1
InChIInChI=1S/C10H13NO/c1-7-4-10(6-9(3)12)5-8(2)11-7/h4-5H,6H2,1-3H3
InChIKeyLCEJYTZYBXTSIX-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.83
Rot. Bonds2

About 1-(2,6-dimethyl-4-pyridinyl)propan-2-one

1-(2,6-dimethyl-4-pyridinyl)propan-2-one (PubChem CID 12521822) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-(2,6-dimethyl-4-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethyl-4-pyridinyl)propan-2-one
PubChem CID12521822
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name1-(2,6-dimethyl-4-pyridinyl)propan-2-one
SMILESCC(=O)Cc1cc(C)nc(C)c1
InChIInChI=1S/C10H13NO/c1-7-4-10(6-9(3)12)5-8(2)11-7/h4-5H,6H2,1-3H3
InChIKeyLCEJYTZYBXTSIX-UHFFFAOYSA-N
XLogP1.83
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-Trimethylpyridine
CID 7953
2,3,6-Trimethylpyridine
CID 15100
3,5-Diacetyl-2,6-dimethylpyridine
CID 540145
4-Acetyl-2-isopropenylpyridine
CID 529352
1-(2,4,6-Trimethylpyridin-3-yl)ethan-1-one
CID 268124
Pyridine, 2,4,6-trimethyl-, 1-oxide
CID 76904
Pyridine, 2,4,6-triethyl-
CID 3084917
4,6-Dimethylpyridine-2-carbaldehyde
CID 225519
1-(3-Methylpyridin-2-Yl)Acetone
CID 16640571
4-Pyridinylacetone
CID 80552
1-(6-Methyl-2-pyridinyl)acetone
CID 571953
4-Ethyl-2,6-dimethylpyridine
CID 37580

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)propan-2-one?
The IUPAC name of 1-(2,6-dimethyl-4-pyridinyl)propan-2-one (CID 12521822) is 1-(2,6-dimethyl-4-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(2,6-dimethyl-4-pyridinyl)propan-2-one?
The canonical SMILES for 1-(2,6-dimethyl-4-pyridinyl)propan-2-one is CC(=O)Cc1cc(C)nc(C)c1.
What is the InChIKey of 1-(2,6-dimethyl-4-pyridinyl)propan-2-one?
The InChIKey is LCEJYTZYBXTSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-7-4-10(6-9(3)12)5-8(2)11-7/h4-5H,6H2,1-3H3.
What are the key properties of 1-(2,6-dimethyl-4-pyridinyl)propan-2-one?
1-(2,6-dimethyl-4-pyridinyl)propan-2-one has a molecular weight of 163.22 g/mol, XLogP of 1.83, 2 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)propan-2-one is sourced from PubChem (CID 12521822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).