1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one

C16H17NO — CID 66448942

IUPAC1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)c2ccccn2)c1C
InChIInChI=1S/C16H17NO/c1-11-7-6-8-14(12(11)2)16(18)13(3)15-9-4-5-10-17-15/h4-10,13H,1-3H3
InChIKeyBLOLDFFASUGXSS-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.68
Rot. Bonds3

About 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one

1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one (PubChem CID 66448942) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
PubChem CID66448942
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Name1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
SMILESCc1cccc(C(=O)C(C)c2ccccn2)c1C
InChIInChI=1S/C16H17NO/c1-11-7-6-8-14(12(11)2)16(18)13(3)15-9-4-5-10-17-15/h4-10,13H,1-3H3
InChIKeyBLOLDFFASUGXSS-UHFFFAOYSA-N
XLogP3.68
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448162
1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one
CID 66446206
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
1-(3-methylfuran-2-yl)-2-pyridin-2-ylpropan-1-one
CID 66448939
(2S)-2-amino-1-(2,3-dimethylphenyl)-3-methylbutan-1-one
CID 175812414
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
CID 114821425
3-methyl-2-(1-pyridin-2-ylethylamino)benzoic acid
CID 107111886
[6-(2-pyridin-2-ylpropanoyl)-3-pyridinyl]carbamic acid
CID 175757670
lithium 2-pyridin-2-ylpropanoate
CID 175058549
3-amino-1-(2,3-dimethylphenyl)-2-methyl-3-phenylpropan-1-one
CID 116598935
3-hydroxy-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 82829719

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one (CID 66448942) is 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one is Cc1cccc(C(=O)C(C)c2ccccn2)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one?
The InChIKey is BLOLDFFASUGXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-7-6-8-14(12(11)2)16(18)13(3)15-9-4-5-10-17-15/h4-10,13H,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one?
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one has a molecular weight of 239.32 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 66448942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).