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

C9H8BrNO — CID 146082553

IUPAC3-(5-bromo-2-pyridinyl)cyclobutan-1-one
SMILESO=C1CC(c2ccc(Br)cn2)C1
InChIInChI=1S/C9H8BrNO/c10-7-1-2-9(11-5-7)6-3-8(12)4-6/h1-2,5-6H,3-4H2
InChIKeyHMRVJYTWOQYECL-UHFFFAOYSA-N
MW226.07 g/mol
LogP2.29
Rot. Bonds1

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

3-(5-bromo-2-pyridinyl)cyclobutan-1-one (PubChem CID 146082553) has the molecular formula C9H8BrNO and a molecular weight of 226.07 g/mol. Its IUPAC name is 3-(5-bromo-2-pyridinyl)cyclobutan-1-one.

Molecular Properties

Compound Name3-(5-bromo-2-pyridinyl)cyclobutan-1-one
PubChem CID146082553
Molecular FormulaC9H8BrNO
Molecular Weight226.07 g/mol
Exact Mass224.98
IUPAC Name3-(5-bromo-2-pyridinyl)cyclobutan-1-one
SMILESO=C1CC(c2ccc(Br)cn2)C1
InChIInChI=1S/C9H8BrNO/c10-7-1-2-9(11-5-7)6-3-8(12)4-6/h1-2,5-6H,3-4H2
InChIKeyHMRVJYTWOQYECL-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

Analyze 3-(5-bromo-2-pyridinyl)cyclobutan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(thian-4-yl)pyridine
CID 155970460
5-bromo-2-(1,3-dioxol-2-yl)pyridine
CID 141192691
5-bromo-2-(oxetan-2-yl)pyridine
CID 158241460
3-(4-bromophenyl)cyclobutan-1-one;ethane
CID 142378468
2-(azetidin-2-yl)-5-bromopyridine
CID 112693368
2-[(2S)-azetidin-2-yl]-5-bromopyridine
CID 131039507
tert-butyl 3-(5-bromo-2-pyridinyl)azetidine-1-carboxylate
CID 140882194
5-bromo-2-(5-bromo-2-pyridinyl)pyridine
CID 10903103
[(1S,2S)-2-(5-bromo-2-pyridinyl)cyclopropyl]methanol
CID 71086058
5-amino-4-(5-bromo-2-pyridinyl)-3-cyclopropyl-4H-imidazol-2-one
CID 113394154
tert-butyl (2R)-2-(5-bromo-2-pyridinyl)cyclopropane-1-carboxylate
CID 170358870
2-(5-bromo-2-pyridinyl)-1-cyclopropyl-5-oxopyrrolidine-3-carboxylic acid
CID 113394050

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-pyridinyl)cyclobutan-1-one?
The IUPAC name of 3-(5-bromo-2-pyridinyl)cyclobutan-1-one (CID 146082553) is 3-(5-bromo-2-pyridinyl)cyclobutan-1-one.
What is the SMILES notation for 3-(5-bromo-2-pyridinyl)cyclobutan-1-one?
The canonical SMILES for 3-(5-bromo-2-pyridinyl)cyclobutan-1-one is O=C1CC(c2ccc(Br)cn2)C1.
What is the InChIKey of 3-(5-bromo-2-pyridinyl)cyclobutan-1-one?
The InChIKey is HMRVJYTWOQYECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNO/c10-7-1-2-9(11-5-7)6-3-8(12)4-6/h1-2,5-6H,3-4H2.
What are the key properties of 3-(5-bromo-2-pyridinyl)cyclobutan-1-one?
3-(5-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-(5-bromo-2-pyridinyl)cyclobutan-1-one is sourced from PubChem (CID 146082553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).