2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone

C17H16BrNO — CID 104798866

IUPAC2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H16BrNO/c18-14-7-8-15(19-12-14)11-16(20)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2
InChIKeyGOZHMWJDTJUAAY-UHFFFAOYSA-N
MW330.22 g/mol
LogP4.08
Rot. Bonds4

About 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone

2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone (PubChem CID 104798866) has the molecular formula C17H16BrNO and a molecular weight of 330.22 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone
PubChem CID104798866
Molecular FormulaC17H16BrNO
Molecular Weight330.22 g/mol
Exact Mass329.04
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)C1(c2ccccc2)CCC1
InChIInChI=1S/C17H16BrNO/c18-14-7-8-15(19-12-14)11-16(20)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2
InChIKeyGOZHMWJDTJUAAY-UHFFFAOYSA-N
XLogP4.08
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3-ethylpiperidin-3-yl)ethanone
CID 116568711
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116607382
1-(5-bromo-2-pyridinyl)cyclobutane-1-carboxylic acid
CID 67973232
1-[(5-bromo-2-pyridinyl)methyl]cycloheptane-1-carboxylic acid
CID 113456057
1-(5-bromo-2-pyridinyl)-3-phenoxypropan-2-one
CID 104798819
2-(furan-2-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171953
2-(5-bromothiophen-2-yl)-1-(1-phenylcyclohexyl)ethanone
CID 63410287
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171826
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
1-[1-(4-aminophenyl)cyclopropyl]-2-(5-ethyl-2-pyridinyl)ethanone
CID 116611651
5-[(5-bromo-2-pyridinyl)methyl]-6,7,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 104801482
1-(5-bromo-2-pyridinyl)-4,4,4-trifluorobutan-2-one
CID 104798738

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone (CID 104798866) is 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone is O=C(Cc1ccc(Br)cn1)C1(c2ccccc2)CCC1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone?
The InChIKey is GOZHMWJDTJUAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO/c18-14-7-8-15(19-12-14)11-16(20)17(9-4-10-17)13-5-2-1-3-6-13/h1-3,5-8,12H,4,9-11H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone has a molecular weight of 330.22 g/mol, XLogP of 4.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(1-phenylcyclobutyl)ethanone is sourced from PubChem (CID 104798866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).