3-(3-bromo-2-pyridinyl)cyclobutan-1-one

C9H8BrNO — CID 155943926

IUPAC3-(3-bromo-2-pyridinyl)cyclobutan-1-one
SMILESO=C1CC(c2ncccc2Br)C1
InChIInChI=1S/C9H8BrNO/c10-8-2-1-3-11-9(8)6-4-7(12)5-6/h1-3,6H,4-5H2
InChIKeyBSBTVASVTQBTJX-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.29
Rot. Bonds1

About 3-(3-bromo-2-pyridinyl)cyclobutan-1-one

3-(3-bromo-2-pyridinyl)cyclobutan-1-one (PubChem CID 155943926) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-(3-bromo-2-pyridinyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(3-bromo-2-pyridinyl)cyclobutan-1-one
PubChem CID155943926
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name3-(3-bromo-2-pyridinyl)cyclobutan-1-one
SMILESO=C1CC(c2ncccc2Br)C1
InChIInChI=1S/C9H8BrNO/c10-8-2-1-3-11-9(8)6-4-7(12)5-6/h1-3,6H,4-5H2
InChIKeyBSBTVASVTQBTJX-UHFFFAOYSA-N
XLogP2.29
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.07
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(5-bromo-2-pyridinyl)cyclobutan-1-one
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(3R)-3-pyridin-2-ylcyclopentan-1-one
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CID 136999478
3-bromo-2-chloropyridine
CID 693324
sodium 3-bromopyridin-2-olate
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2-(azetidin-3-yloxy)-3-bromopyridine
CID 58547749
1-(3-bromo-2-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663841
1-(3-bromo-2-pyridinyl)-4-ethenylpyrrolidin-2-one
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CID 130598530

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-2-pyridinyl)cyclobutan-1-one?
The IUPAC name of 3-(3-bromo-2-pyridinyl)cyclobutan-1-one (CID 155943926) is 3-(3-bromo-2-pyridinyl)cyclobutan-1-one.
What is the SMILES notation for 3-(3-bromo-2-pyridinyl)cyclobutan-1-one?
The canonical SMILES for 3-(3-bromo-2-pyridinyl)cyclobutan-1-one is O=C1CC(c2ncccc2Br)C1.
What is the InChIKey of 3-(3-bromo-2-pyridinyl)cyclobutan-1-one?
The InChIKey is BSBTVASVTQBTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-8-2-1-3-11-9(8)6-4-7(12)5-6/h1-3,6H,4-5H2.
What are the key properties of 3-(3-bromo-2-pyridinyl)cyclobutan-1-one?
3-(3-bromo-2-pyridinyl)cyclobutan-1-one has a molecular weight of 226.07 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-2-pyridinyl)cyclobutan-1-one is sourced from PubChem (CID 155943926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).