1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one

C9H10BrNO — CID 146999410

IUPAC1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(Br)c(C)n1
InChIInChI=1S/C9H10BrNO/c1-6(12)5-8-3-4-9(10)7(2)11-8/h3-4H,5H2,1-2H3
InChIKeyARSXRXDJXSDAIE-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.28
Rot. Bonds2

About 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one

1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one (PubChem CID 146999410) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one
PubChem CID146999410
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one
SMILESCC(=O)Cc1ccc(Br)c(C)n1
InChIInChI=1S/C9H10BrNO/c1-6(12)5-8-3-4-9(10)7(2)11-8/h3-4H,5H2,1-2H3
InChIKeyARSXRXDJXSDAIE-UHFFFAOYSA-N
XLogP2.28
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-6-methylpyrazin-2-yl)propan-2-one
CID 83840150
1-[6-[[(5-bromo-6-methyl-2-pyridinyl)amino]methyl]-2-methyl-3-pyridinyl]ethanone
CID 133451908
1-[6-(aminomethyl)-2-pyridinyl]propan-2-one
CID 118396926
ethyl 2-(5-bromo-6-fluoro-2-pyridinyl)acetate
CID 133098162
2-[(5-bromo-6-methyl-2-pyridinyl)oxy]ethyl acetate
CID 59544536
1-(7-fluoroquinolin-2-yl)propan-2-one
CID 82241337
methyl 2-(6-amino-5-bromo-2-pyridinyl)acetate
CID 130681822
1-(8-chloroquinolin-2-yl)propan-2-one
CID 82242117
1-(3-bromo-2-methylphenyl)propan-2-one
CID 83709858
2-[[1-(5-bromo-6-methyl-2-pyridinyl)-2-methylpropan-2-yl]oxycarbonylamino]-3,3-dimethylbutanoic acid
CID 66717780
2-(aminomethyl)-N-(5-bromo-6-methyl-2-pyridinyl)pyridine-4-carboxamide
CID 114326756
1-(2-methylsulfanylpyrimidin-4-yl)propan-2-one
CID 59606606

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one?
The IUPAC name of 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one (CID 146999410) is 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one?
The canonical SMILES for 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one is CC(=O)Cc1ccc(Br)c(C)n1.
What is the InChIKey of 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one?
The InChIKey is ARSXRXDJXSDAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c1-6(12)5-8-3-4-9(10)7(2)11-8/h3-4H,5H2,1-2H3.
What are the key properties of 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one?
1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one has a molecular weight of 228.09 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-6-methyl-2-pyridinyl)propan-2-one is sourced from PubChem (CID 146999410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).