1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone

C15H15NO — CID 82080805

IUPAC1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)ccc2C)cn1
InChIInChI=1S/C15H15NO/c1-10-4-5-11(2)14(8-10)13-6-7-15(12(3)17)16-9-13/h4-9H,1-3H3
InChIKeyCRCRSUBNYYKAIX-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.57
Rot. Bonds2

About 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone

1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone (PubChem CID 82080805) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone
PubChem CID82080805
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(-c2cc(C)ccc2C)cn1
InChIInChI=1S/C15H15NO/c1-10-4-5-11(2)14(8-10)13-6-7-15(12(3)17)16-9-13/h4-9H,1-3H3
InChIKeyCRCRSUBNYYKAIX-UHFFFAOYSA-N
XLogP3.57
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(N,2,4-trimethylanilino)-2-pyridinyl]ethanone
CID 83120045
1-(5-phenyl-2-pyridinyl)ethanone
CID 12054301
4-methyl-3-(6-prop-1-en-2-yl-3-pyridinyl)aniline
CID 68548753
tert-butyl 5-(2,4-dimethylphenyl)pyridine-2-carboxylate
CID 170161835
2-[4-(2,5-dimethylphenyl)phenyl]-2-oxoacetic acid
CID 82120057
1-[5-(2,3-dichlorophenyl)-2-pyridinyl]ethanone
CID 71011699
5-(6-acetyl-3-pyridinyl)pyridine-2-carbonitrile
CID 86680485
2-[4-(2,5-dimethylphenyl)phenyl]acetic acid
CID 82044426
1-[5-(5-fluoro-2-pyridinyl)-2-pyridinyl]ethanone
CID 59162014
1-[5-(4-nitrophenyl)-2-pyridinyl]ethanone
CID 86680623
1-[5-(3,5-dimethylphenoxy)-2-pyridinyl]ethanone
CID 83119321
1-[2-(2,5-dimethylphenyl)-5-fluorophenyl]ethanone
CID 175647045

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone (CID 82080805) is 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone is CC(=O)c1ccc(-c2cc(C)ccc2C)cn1.
What is the InChIKey of 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone?
The InChIKey is CRCRSUBNYYKAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-10-4-5-11(2)14(8-10)13-6-7-15(12(3)17)16-9-13/h4-9H,1-3H3.
What are the key properties of 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone?
1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone has a molecular weight of 225.29 g/mol, XLogP of 3.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylphenyl)-2-pyridinyl]ethanone is sourced from PubChem (CID 82080805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).