3-(2-bromocyclobutyl)pyridine

C9H10BrN — CID 142785630

IUPAC3-(2-bromocyclobutyl)pyridine
SMILESBrC1CCC1c1cccnc1
InChIInChI=1S/C9H10BrN/c10-9-4-3-8(9)7-2-1-5-11-6-7/h1-2,5-6,8-9H,3-4H2
InChIKeyAVDUOAWYALBJRH-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.72
Rot. Bonds1

About 3-(2-bromocyclobutyl)pyridine

3-(2-bromocyclobutyl)pyridine (PubChem CID 142785630) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 3-(2-bromocyclobutyl)pyridine.

Molecular Properties

Compound Name3-(2-bromocyclobutyl)pyridine
PubChem CID142785630
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name3-(2-bromocyclobutyl)pyridine
SMILESBrC1CCC1c1cccnc1
InChIInChI=1S/C9H10BrN/c10-9-4-3-8(9)7-2-1-5-11-6-7/h1-2,5-6,8-9H,3-4H2
InChIKeyAVDUOAWYALBJRH-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-bromocyclopropyl)pyridine
CID 130539890
3-(2-methylcyclobutyl)pyridine
CID 174716389
3-[(1R,2R)-2-methylcyclopropyl]pyridine
CID 59474162
2-(aminomethyl)-3-pyridin-3-ylcyclopentan-1-ol
CID 176715587
3-(5-bromo-2-ethylcyclohexyl)pyridine
CID 165498132
6-pyridin-3-yl-3-azabicyclo[3.3.1]nonane
CID 57485543
8-pyridin-3-yl-2-azabicyclo[3.3.1]nonane
CID 57485542
3-[2-(4-phenylphenyl)cyclohexyl]pyridine
CID 175611155
(3-pyridin-3-ylpyrrolidin-2-yl)methanol
CID 126982382
2-pyridin-3-ylcyclohexane-1-carbonitrile
CID 82241004
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
3-[(2S)-aziridin-2-yl]pyridine
CID 55263397

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromocyclobutyl)pyridine?
The IUPAC name of 3-(2-bromocyclobutyl)pyridine (CID 142785630) is 3-(2-bromocyclobutyl)pyridine.
What is the SMILES notation for 3-(2-bromocyclobutyl)pyridine?
The canonical SMILES for 3-(2-bromocyclobutyl)pyridine is BrC1CCC1c1cccnc1.
What is the InChIKey of 3-(2-bromocyclobutyl)pyridine?
The InChIKey is AVDUOAWYALBJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c10-9-4-3-8(9)7-2-1-5-11-6-7/h1-2,5-6,8-9H,3-4H2.
What are the key properties of 3-(2-bromocyclobutyl)pyridine?
3-(2-bromocyclobutyl)pyridine has a molecular weight of 212.09 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromocyclobutyl)pyridine is sourced from PubChem (CID 142785630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).