1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one

C15H14BrNO — CID 66448162

IUPAC1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
SMILESCc1ccc(Br)cc1C(=O)C(C)c1ccccn1
InChIInChI=1S/C15H14BrNO/c1-10-6-7-12(16)9-13(10)15(18)11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3
InChIKeyUMIXCPQPASTXAX-UHFFFAOYSA-N
MW304.19 g/mol
LogP4.14
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one

1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one (PubChem CID 66448162) has the molecular formula C15H14BrNO and a molecular weight of 304.19 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
PubChem CID66448162
Molecular FormulaC15H14BrNO
Molecular Weight304.19 g/mol
Exact Mass303.03
IUPAC Name1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one
SMILESCc1ccc(Br)cc1C(=O)C(C)c1ccccn1
InChIInChI=1S/C15H14BrNO/c1-10-6-7-12(16)9-13(10)15(18)11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3
InChIKeyUMIXCPQPASTXAX-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzamide
CID 65307460
1-(2,3-dimethylphenyl)-2-pyridin-2-ylpropan-1-one
CID 66448942
1-(5-bromo-2-methylphenyl)-2-hydroxypropan-1-one
CID 83720106
2,4-dipyridin-2-ylpentan-3-one
CID 141048798
(2S)-N-[2-(3-bromophenoxy)ethyl]-2-pyridin-2-ylpropanamide
CID 124849874
1-(3-methylfuran-2-yl)-2-pyridin-2-ylpropan-1-one
CID 66448939
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)aniline
CID 43729519
1-(5-methylfuran-3-yl)-2-pyridin-2-ylpropan-1-one
CID 114821425
1-[2-(difluoromethoxy)phenyl]-2-pyridin-2-ylpropan-1-one
CID 66446206
(2R)-2-pyridin-2-ylpropanoate
CID 86306983
2-pyridin-2-yl-1-(3,4,5-trifluorophenyl)propan-1-one
CID 66447774
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one (CID 66448162) is 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one is Cc1ccc(Br)cc1C(=O)C(C)c1ccccn1.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one?
The InChIKey is UMIXCPQPASTXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO/c1-10-6-7-12(16)9-13(10)15(18)11(2)14-5-3-4-8-17-14/h3-9,11H,1-2H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one?
1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one has a molecular weight of 304.19 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-2-pyridin-2-ylpropan-1-one is sourced from PubChem (CID 66448162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).