1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone

C15H14BrNO — CID 81471898

IUPAC1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(C)c(Br)c2)nc1
InChIInChI=1S/C15H14BrNO/c1-10-3-6-13(17-9-10)8-15(18)12-5-4-11(2)14(16)7-12/h3-7,9H,8H2,1-2H3
InChIKeyVTTMJZPIMIBSFO-UHFFFAOYSA-N
MW304.19 g/mol
LogP3.89
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone

1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone (PubChem CID 81471898) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
PubChem CID81471898
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
SMILESCc1ccc(CC(=O)c2ccc(C)c(Br)c2)nc1
InChIInChI=1S/C15H14BrNO/c1-10-3-6-13(17-9-10)8-15(18)12-5-4-11(2)14(16)7-12/h3-7,9H,8H2,1-2H3
InChIKeyVTTMJZPIMIBSFO-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

1-(4-bromophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66447293
1-(3,5-dichlorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448114
1-(3-bromo-2-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448267
1-(3-bromo-4-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376772
1-(4-amino-3-methylphenyl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 116553891
1-(3-bromo-4-methylphenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 115783528
1-(3-bromo-4-methylphenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063270
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
2-bromo-1-(3-bromo-4-methylphenyl)ethanone;1-(3-bromo-4-methylphenyl)ethanone
CID 159915829
1-(3-bromo-4-methylphenyl)-2-dimethoxyphosphorylethanone
CID 87999428
2-(1,3-benzoxazol-2-yl)-1-(3-bromo-4-methylphenyl)ethanone
CID 81472639
N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone (CID 81471898) is 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone is Cc1ccc(CC(=O)c2ccc(C)c(Br)c2)nc1.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone?
The InChIKey is VTTMJZPIMIBSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-3-6-13(17-9-10)8-15(18)12-5-4-11(2)14(16)7-12/h3-7,9H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone?
1-(3-bromo-4-methylphenyl)-2-(5-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-(3-bromo-4-methylphenyl)-2-(5-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 81471898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).