2-bromo-6-(2-cyclobutylideneethyl)pyridine

C11H12BrN — CID 142770730

IUPAC2-bromo-6-(2-cyclobutylideneethyl)pyridine
SMILESBrc1cccc(CC=C2CCC2)n1
InChIInChI=1S/C11H12BrN/c12-11-6-2-5-10(13-11)8-7-9-3-1-4-9/h2,5-7H,1,3-4,8H2
InChIKeyTUGFOWHVTGMAJQ-UHFFFAOYSA-N
MW238.13 g/mol
LogP3.50
Rot. Bonds2

About 2-bromo-6-(2-cyclobutylideneethyl)pyridine

2-bromo-6-(2-cyclobutylideneethyl)pyridine (PubChem CID 142770730) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 2-bromo-6-(2-cyclobutylideneethyl)pyridine.

Molecular Properties

Compound Name2-bromo-6-(2-cyclobutylideneethyl)pyridine
PubChem CID142770730
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name2-bromo-6-(2-cyclobutylideneethyl)pyridine
SMILESBrc1cccc(CC=C2CCC2)n1
InChIInChI=1S/C11H12BrN/c12-11-6-2-5-10(13-11)8-7-9-3-1-4-9/h2,5-7H,1,3-4,8H2
InChIKeyTUGFOWHVTGMAJQ-UHFFFAOYSA-N
XLogP3.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(6-bromo-2-pyridinyl)ethylidene]hydroxylamine
CID 173022617
2-(6-bromo-2-pyridinyl)ethanol;oxolane
CID 161320923
2-bromo-6-(methylsulfanylmethyl)pyridine
CID 59526020
1-[(6-bromo-2-pyridinyl)methyl]azetidin-3-ol
CID 130604174
2-bromo-6-[(2-methylpyrrolidin-1-yl)methyl]pyridine
CID 126985647
2-bromo-6-[2-(oxan-2-yloxy)ethyl]pyridine
CID 59665437
2-bromo-6-[(2-fluorophenyl)methyl]pyridine
CID 86652414
2-bromo-6-(methylsulfanyloxymethyl)pyridine
CID 89441575
2-[2-(6-bromo-2-pyridinyl)ethoxy]acetaldehyde
CID 89022712
2-bromo-6-[[(3S)-1-methylpiperidin-3-yl]methyl]pyridine
CID 124641722
1-(6-bromo-2-pyridinyl)-N-methoxy-N-methylmethanamine
CID 126996740
(6-bromo-2-pyridinyl)methylcarbamic acid
CID 87415721

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(2-cyclobutylideneethyl)pyridine?
The IUPAC name of 2-bromo-6-(2-cyclobutylideneethyl)pyridine (CID 142770730) is 2-bromo-6-(2-cyclobutylideneethyl)pyridine.
What is the SMILES notation for 2-bromo-6-(2-cyclobutylideneethyl)pyridine?
The canonical SMILES for 2-bromo-6-(2-cyclobutylideneethyl)pyridine is Brc1cccc(CC=C2CCC2)n1.
What is the InChIKey of 2-bromo-6-(2-cyclobutylideneethyl)pyridine?
The InChIKey is TUGFOWHVTGMAJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-11-6-2-5-10(13-11)8-7-9-3-1-4-9/h2,5-7H,1,3-4,8H2.
What are the key properties of 2-bromo-6-(2-cyclobutylideneethyl)pyridine?
2-bromo-6-(2-cyclobutylideneethyl)pyridine has a molecular weight of 238.13 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(2-cyclobutylideneethyl)pyridine is sourced from PubChem (CID 142770730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).