1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone

C15H14BrNO — CID 107982894

IUPAC1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)c1cccc(C)c1Br
InChIInChI=1S/C15H14BrNO/c1-10-6-4-8-17-13(10)9-14(18)12-7-3-5-11(2)15(12)16/h3-8H,9H2,1-2H3
InChIKeyPFUXOWRYFQIOTL-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.89
Rot. Bonds3

About 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone

1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone (PubChem CID 107982894) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
PubChem CID107982894
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone
SMILESCc1cccnc1CC(=O)c1cccc(C)c1Br
InChIInChI=1S/C15H14BrNO/c1-10-6-4-8-17-13(10)9-14(18)12-7-3-5-11(2)15(12)16/h3-8H,9H2,1-2H3
InChIKeyPFUXOWRYFQIOTL-UHFFFAOYSA-N
XLogP3.89
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.19
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 107984553
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622
3-bromo-2-[[2-(3-methyl-2-pyridinyl)acetyl]amino]benzoic acid
CID 107147183
1-(1-benzofuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447636
1-(2-methyl-5-nitrophenyl)-2-(3-methyl-2-pyridinyl)ethanone
CID 66447836
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
2-(4-bromo-1,3-diethylpyrazol-5-yl)-1-(2-bromo-3-methylphenyl)ethanone
CID 107984540
1-(5-methylfuran-3-yl)-2-(3-methyl-2-pyridinyl)ethanone
CID 114821426
1-(2-bromo-3-methylphenyl)-2-(3,4-difluorophenyl)ethanone
CID 114023890

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone (CID 107982894) is 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone is Cc1cccnc1CC(=O)c1cccc(C)c1Br.
What is the InChIKey of 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone?
The InChIKey is PFUXOWRYFQIOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-6-4-8-17-13(10)9-14(18)12-7-3-5-11(2)15(12)16/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone?
1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone has a molecular weight of 304.19 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-methylphenyl)-2-(3-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 107982894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).