1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone

C15H15NO — CID 62548685

IUPAC1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
SMILESCc1ccc(C(=O)Cc2cccnc2)cc1C
InChIInChI=1S/C15H15NO/c1-11-5-6-14(8-12(11)2)15(17)9-13-4-3-7-16-10-13/h3-8,10H,9H2,1-2H3
InChIKeyFVCSYGYBDMQFBF-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.12
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone

1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone (PubChem CID 62548685) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
PubChem CID62548685
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
SMILESCc1ccc(C(=O)Cc2cccnc2)cc1C
InChIInChI=1S/C15H15NO/c1-11-5-6-14(8-12(11)2)15(17)9-13-4-3-7-16-10-13/h3-8,10H,9H2,1-2H3
InChIKeyFVCSYGYBDMQFBF-UHFFFAOYSA-N
XLogP3.12
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dimethylphenyl)-2-oxo-N-(pyridin-3-ylmethyl)acetamide
CID 82123368
1-(3,4-dimethylphenyl)-3-pyridin-3-ylpropan-2-one
CID 62551189
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
1-(4-ethylsulfanylphenyl)-2-pyridin-3-ylethanone
CID 106847990
1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
CID 115799235
1-[2-methyl-4-(trifluoromethyl)phenyl]-2-pyridin-3-ylethanone
CID 102752411
2-(3,4-dimethylbenzoyl)-N-(pyridin-3-ylmethyl)benzamide
CID 36524206

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone (CID 62548685) is 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone is Cc1ccc(C(=O)Cc2cccnc2)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone?
The InChIKey is FVCSYGYBDMQFBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-11-5-6-14(8-12(11)2)15(17)9-13-4-3-7-16-10-13/h3-8,10H,9H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone?
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone has a molecular weight of 225.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 62548685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).