1-(4-methylphenyl)-2-pyridin-4-ylethanone

C14H13NO — CID 11367827

IUPAC1-(4-methylphenyl)-2-pyridin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccncc2)cc1
InChIInChI=1S/C14H13NO/c1-11-2-4-13(5-3-11)14(16)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKeyXUCKHEMSKSGZAI-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.82
Rot. Bonds3

About 1-(4-methylphenyl)-2-pyridin-4-ylethanone

1-(4-methylphenyl)-2-pyridin-4-ylethanone (PubChem CID 11367827) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 1-(4-methylphenyl)-2-pyridin-4-ylethanone.

Molecular Properties

Compound Name1-(4-methylphenyl)-2-pyridin-4-ylethanone
PubChem CID11367827
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name1-(4-methylphenyl)-2-pyridin-4-ylethanone
SMILESCc1ccc(C(=O)Cc2ccncc2)cc1
InChIInChI=1S/C14H13NO/c1-11-2-4-13(5-3-11)14(16)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3
InChIKeyXUCKHEMSKSGZAI-UHFFFAOYSA-N
XLogP2.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-hydroxyphenyl)-2-pyridin-4-ylethanone
CID 22707004
2-(3,5-dimethylphenyl)-1-pyridin-4-ylethanone
CID 22993741
1-(2,4-dimethylphenyl)-2-pyridin-4-ylethanone
CID 55120466
1-(4-methylphenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-1-one
CID 62613135
1-[4-(aminomethyl)phenyl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 118703223
1-(4-nitrophenyl)-2-pyridin-4-ylethanone
CID 14291559
1-[3-(4-methylphenyl)-3-oxopropyl]-3-(pyridin-4-ylmethyl)urea
CID 108874547
1-(5-methylthiophen-3-yl)-2-pyridin-4-ylethanone
CID 58514854
2-(4-aminophenyl)-1-pyridin-4-ylethanone
CID 154541759
2-(4-methylphenyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 115373939
ethyl 4-[2-(4-methylphenyl)acetyl]benzoate
CID 15182973
1-(4-methylphenyl)-2-(4-methylsulfonylphenyl)ethanone
CID 22350061

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-2-pyridin-4-ylethanone?
The IUPAC name of 1-(4-methylphenyl)-2-pyridin-4-ylethanone (CID 11367827) is 1-(4-methylphenyl)-2-pyridin-4-ylethanone.
What is the SMILES notation for 1-(4-methylphenyl)-2-pyridin-4-ylethanone?
The canonical SMILES for 1-(4-methylphenyl)-2-pyridin-4-ylethanone is Cc1ccc(C(=O)Cc2ccncc2)cc1.
What is the InChIKey of 1-(4-methylphenyl)-2-pyridin-4-ylethanone?
The InChIKey is XUCKHEMSKSGZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-11-2-4-13(5-3-11)14(16)10-12-6-8-15-9-7-12/h2-9H,10H2,1H3.
What are the key properties of 1-(4-methylphenyl)-2-pyridin-4-ylethanone?
1-(4-methylphenyl)-2-pyridin-4-ylethanone has a molecular weight of 211.26 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-2-pyridin-4-ylethanone is sourced from PubChem (CID 11367827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).