1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one

C11H14BrNO2 — CID 104799191

IUPAC1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H14BrNO2/c1-11(2,15-3)10(14)6-9-5-4-8(12)7-13-9/h4-5,7H,6H2,1-3H3
InChIKeyFMPBXBYUCLQLIV-UHFFFAOYSA-N
MW272.14 g/mol
LogP2.38
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one

1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one (PubChem CID 104799191) has the molecular formula C11H14BrNO2 and a molecular weight of 272.14 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one
PubChem CID104799191
Molecular FormulaC11H14BrNO2
Molecular Weight272.14 g/mol
Exact Mass271.02
IUPAC Name1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one
SMILESCOC(C)(C)C(=O)Cc1ccc(Br)cn1
InChIInChI=1S/C11H14BrNO2/c1-11(2,15-3)10(14)6-9-5-4-8(12)7-13-9/h4-5,7H,6H2,1-3H3
InChIKeyFMPBXBYUCLQLIV-UHFFFAOYSA-N
XLogP2.38
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.14
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)-3,3-dimethylpentan-2-one
CID 115801075
3-(4-aminophenyl)-1-(5-bromo-2-pyridinyl)-3-methylbutan-2-one
CID 116598836
1-(5-bromo-2-pyridinyl)-5-methoxypentan-2-one
CID 104798952
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738
1-(5-bromo-2-pyridinyl)-3-ethylheptan-2-one
CID 115800900
1-(5-bromo-2-pyridinyl)-5-methoxy-4-methylpentan-2-one
CID 105128793
tert-butyl 3-(5-bromo-2-pyridinyl)propanoate
CID 134284473
(5-bromo-2-pyridinyl)methyl acetate
CID 66893537
1-(5-bromo-2-pyridinyl)-3-methylsulfonylpropan-2-one
CID 115800953
2-(5-bromo-2-pyridinyl)-1-(3-methoxythiophen-2-yl)ethanone
CID 115800936
1-(5-ethyl-2-pyridinyl)-3-methoxy-3-methylpentan-2-one
CID 116746778
1-(5-bromo-2-pyridinyl)-4-methylhexan-2-one
CID 115801004

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one (CID 104799191) is 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one is COC(C)(C)C(=O)Cc1ccc(Br)cn1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one?
The InChIKey is FMPBXBYUCLQLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO2/c1-11(2,15-3)10(14)6-9-5-4-8(12)7-13-9/h4-5,7H,6H2,1-3H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one?
1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one has a molecular weight of 272.14 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-3-methoxy-3-methylbutan-2-one is sourced from PubChem (CID 104799191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).