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

C9H10BrNO — CID 77230267

IUPAC1-(2-bromo-3-pyridinyl)cyclobutan-1-ol
SMILESOC1(c2cccnc2Br)CCC1
InChIInChI=1S/C9H10BrNO/c10-8-7(3-1-6-11-8)9(12)4-2-5-9/h1,3,6,12H,2,4-5H2
InChIKeyOPQQFZXMMRDXPR-UHFFFAOYSA-N
MW228.09 g/mol
LogP2.22
Rot. Bonds1

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

1-(2-bromo-3-pyridinyl)cyclobutan-1-ol (PubChem CID 77230267) has the molecular formula C9H10BrNO and a molecular weight of 228.09 g/mol. Its IUPAC name is 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-3-pyridinyl)cyclobutan-1-ol
PubChem CID77230267
Molecular FormulaC9H10BrNO
Molecular Weight228.09 g/mol
Exact Mass226.99
IUPAC Name1-(2-bromo-3-pyridinyl)cyclobutan-1-ol
SMILESOC1(c2cccnc2Br)CCC1
InChIInChI=1S/C9H10BrNO/c10-8-7(3-1-6-11-8)9(12)4-2-5-9/h1,3,6,12H,2,4-5H2
InChIKeyOPQQFZXMMRDXPR-UHFFFAOYSA-N
XLogP2.22
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol?
The IUPAC name of 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol (CID 77230267) is 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol?
The canonical SMILES for 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol is OC1(c2cccnc2Br)CCC1.
What is the InChIKey of 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol?
The InChIKey is OPQQFZXMMRDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO/c10-8-7(3-1-6-11-8)9(12)4-2-5-9/h1,3,6,12H,2,4-5H2.
What are the key properties of 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol?
1-(2-bromo-3-pyridinyl)cyclobutan-1-ol has a molecular weight of 228.09 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-pyridinyl)cyclobutan-1-ol is sourced from PubChem (CID 77230267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).