5-bromo-2-(4-cyclopropylbutyl)pyridine

C12H16BrN — CID 71137385

IUPAC5-bromo-2-(4-cyclopropylbutyl)pyridine
SMILESBrc1ccc(CCCCC2CC2)nc1
InChIInChI=1S/C12H16BrN/c13-11-7-8-12(14-9-11)4-2-1-3-10-5-6-10/h7-10H,1-6H2
InChIKeyDUCLLVLUFPFIPS-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.97
Rot. Bonds5

About 5-bromo-2-(4-cyclopropylbutyl)pyridine

5-bromo-2-(4-cyclopropylbutyl)pyridine (PubChem CID 71137385) has the molecular formula C12H16BrN and a molecular weight of 254.17 g/mol. Its IUPAC name is 5-bromo-2-(4-cyclopropylbutyl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(4-cyclopropylbutyl)pyridine
PubChem CID71137385
Molecular FormulaC12H16BrN
Molecular Weight254.17 g/mol
Exact Mass253.05
IUPAC Name5-bromo-2-(4-cyclopropylbutyl)pyridine
SMILESBrc1ccc(CCCCC2CC2)nc1
InChIInChI=1S/C12H16BrN/c13-11-7-8-12(14-9-11)4-2-1-3-10-5-6-10/h7-10H,1-6H2
InChIKeyDUCLLVLUFPFIPS-UHFFFAOYSA-N
XLogP3.97
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-(10,10,10-trifluorodecyl)pyridine
CID 151052015
2-(5-bromo-2-pyridinyl)-1-(4-butylcyclohexyl)ethanol
CID 115833225
4-(5-bromo-2-pyridinyl)-N,N-dimethylbutan-1-amine
CID 167637244
4-(5-bromo-2-pyridinyl)-N-methylbutan-1-amine
CID 104811937
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
5-bromo-2-(3-pyrrolidin-1-ylpropyl)pyridine
CID 58234518
1-[1-[(5-bromo-2-pyridinyl)methyl]-4-butylcyclohexyl]-N-methylmethanamine
CID 104810592
N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 115641200
6-bromo-1-(5-bromo-2-pyridinyl)hexan-3-one
CID 106798829
3-(5-bromo-2-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 104810396
2-(5-bromo-2-pyridinyl)-N-ethyl-1-(4-propylcyclohexyl)ethanamine
CID 104802554
2-(9-cyclopropylnonyl)-5-(2-heptyl-1,3-benzodioxol-5-yl)pyridine
CID 19050328

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-cyclopropylbutyl)pyridine?
The IUPAC name of 5-bromo-2-(4-cyclopropylbutyl)pyridine (CID 71137385) is 5-bromo-2-(4-cyclopropylbutyl)pyridine.
What is the SMILES notation for 5-bromo-2-(4-cyclopropylbutyl)pyridine?
The canonical SMILES for 5-bromo-2-(4-cyclopropylbutyl)pyridine is Brc1ccc(CCCCC2CC2)nc1.
What is the InChIKey of 5-bromo-2-(4-cyclopropylbutyl)pyridine?
The InChIKey is DUCLLVLUFPFIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN/c13-11-7-8-12(14-9-11)4-2-1-3-10-5-6-10/h7-10H,1-6H2.
What are the key properties of 5-bromo-2-(4-cyclopropylbutyl)pyridine?
5-bromo-2-(4-cyclopropylbutyl)pyridine has a molecular weight of 254.17 g/mol, XLogP of 3.97, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-cyclopropylbutyl)pyridine is sourced from PubChem (CID 71137385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).