2-bromo-1-cyclobutyl-3-methyl-2H-pyridine

C10H14BrN — CID 152547965

IUPAC2-bromo-1-cyclobutyl-3-methyl-2H-pyridine
SMILESCC1=CC=CN(C2CCC2)C1Br
InChIInChI=1S/C10H14BrN/c1-8-4-3-7-12(10(8)11)9-5-2-6-9/h3-4,7,9-10H,2,5-6H2,1H3
InChIKeyYMWPMFNSGJZUIN-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.04
Rot. Bonds1

About 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine

2-bromo-1-cyclobutyl-3-methyl-2H-pyridine (PubChem CID 152547965) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine.

Molecular Properties

Compound Name2-bromo-1-cyclobutyl-3-methyl-2H-pyridine
PubChem CID152547965
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name2-bromo-1-cyclobutyl-3-methyl-2H-pyridine
SMILESCC1=CC=CN(C2CCC2)C1Br
InChIInChI=1S/C10H14BrN/c1-8-4-3-7-12(10(8)11)9-5-2-6-9/h3-4,7,9-10H,2,5-6H2,1H3
InChIKeyYMWPMFNSGJZUIN-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine?
The IUPAC name of 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine (CID 152547965) is 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine.
What is the SMILES notation for 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine?
The canonical SMILES for 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine is CC1=CC=CN(C2CCC2)C1Br.
What is the InChIKey of 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine?
The InChIKey is YMWPMFNSGJZUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c1-8-4-3-7-12(10(8)11)9-5-2-6-9/h3-4,7,9-10H,2,5-6H2,1H3.
What are the key properties of 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine?
2-bromo-1-cyclobutyl-3-methyl-2H-pyridine has a molecular weight of 228.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-cyclobutyl-3-methyl-2H-pyridine is sourced from PubChem (CID 152547965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).