3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one

C10H10BrNO — CID 164657608

IUPAC3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1c1cncc(Br)c1
InChIInChI=1S/C10H10BrNO/c1-6-9(3-10(6)13)7-2-8(11)5-12-4-7/h2,4-6,9H,3H2,1H3
InChIKeyRUUUOPIZHUNYHU-UHFFFAOYSA-N
MW240.10 g/mol
LogP2.54
Rot. Bonds1

About 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one

3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one (PubChem CID 164657608) has the molecular formula C10H10BrNO and a molecular weight of 240.10 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one
PubChem CID164657608
Molecular FormulaC10H10BrNO
Molecular Weight240.10 g/mol
Exact Mass238.99
IUPAC Name3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one
SMILESCC1C(=O)CC1c1cncc(Br)c1
InChIInChI=1S/C10H10BrNO/c1-6-9(3-10(6)13)7-2-8(11)5-12-4-7/h2,4-6,9H,3H2,1H3
InChIKeyRUUUOPIZHUNYHU-UHFFFAOYSA-N
XLogP2.54
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.10
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(3-chloro-4-fluorophenyl)-2-methylcyclobutan-1-one
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3-bromo-5-(1-ethylsulfinylpiperidin-4-yl)pyridine
CID 146573245
3-bromo-5-(1,4-dioxan-2-yl)pyridine
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3-(5-fluoro-2-pyridinyl)-2-methylcyclobutan-1-one
CID 83128852
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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one (CID 164657608) is 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one is CC1C(=O)CC1c1cncc(Br)c1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one?
The InChIKey is RUUUOPIZHUNYHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNO/c1-6-9(3-10(6)13)7-2-8(11)5-12-4-7/h2,4-6,9H,3H2,1H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one?
3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one has a molecular weight of 240.10 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-2-methylcyclobutan-1-one is sourced from PubChem (CID 164657608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).