1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone

C12H14BrNO — CID 130601241

IUPAC1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
SMILESCC1(CC(=O)c2cncc(Br)c2)CCC1
InChIInChI=1S/C12H14BrNO/c1-12(3-2-4-12)6-11(15)9-5-10(13)8-14-7-9/h5,7-8H,2-4,6H2,1H3
InChIKeyZQNPELAZUFGUPP-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.61
Rot. Bonds3

About 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone

1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone (PubChem CID 130601241) has the molecular formula C12H14BrNO and a molecular weight of 268.15 g/mol. Its IUPAC name is 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone.

Molecular Properties

Compound Name1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
PubChem CID130601241
Molecular FormulaC12H14BrNO
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone
SMILESCC1(CC(=O)c2cncc(Br)c2)CCC1
InChIInChI=1S/C12H14BrNO/c1-12(3-2-4-12)6-11(15)9-5-10(13)8-14-7-9/h5,7-8H,2-4,6H2,1H3
InChIKeyZQNPELAZUFGUPP-UHFFFAOYSA-N
XLogP3.61
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[(4-methyloxan-4-yl)methyl]pyridine-3-carboxamide
CID 113252985
5-bromo-N-[(3-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 113400479
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
2-[1-[[(5-bromopyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163589
5-bromo-N-[(1-methoxycyclobutyl)methyl]pyridine-3-carboxamide
CID 103991115
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
5-bromo-N-(3-methyloxolan-3-yl)pyridine-3-carboxamide
CID 115769193
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
(5-bromo-3-pyridinyl)-(3-hydroxy-3-methylpiperidin-1-yl)methanone
CID 113344085
2-(1-methoxycyclobutyl)-1-(5-methyl-3-pyridinyl)ethanone
CID 103558920
1-(5-bromo-3-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 115515990
2-(1-aminocyclobutyl)-1-(5-propoxy-3-pyridinyl)ethanone
CID 116591204

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone?
The IUPAC name of 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone (CID 130601241) is 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone.
What is the SMILES notation for 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone?
The canonical SMILES for 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone is CC1(CC(=O)c2cncc(Br)c2)CCC1.
What is the InChIKey of 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone?
The InChIKey is ZQNPELAZUFGUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO/c1-12(3-2-4-12)6-11(15)9-5-10(13)8-14-7-9/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone?
1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone has a molecular weight of 268.15 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-pyridinyl)-2-(1-methylcyclobutyl)ethanone is sourced from PubChem (CID 130601241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).