2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine

C14H20BrNO — CID 66454874

IUPAC2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)CCC2CCCO2)nc1
InChIInChI=1S/C14H20BrNO/c1-11-4-6-13(16-10-11)9-12(15)5-7-14-3-2-8-17-14/h4,6,10,12,14H,2-3,5,7-9H2,1H3
InChIKeyPMUUSQSWUOZQFV-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.66
Rot. Bonds5

About 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine

2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine (PubChem CID 66454874) has the molecular formula C14H20BrNO and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine.

Molecular Properties

Compound Name2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
PubChem CID66454874
Molecular FormulaC14H20BrNO
Molecular Weight298.22 g/mol
Exact Mass297.07
IUPAC Name2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine
SMILESCc1ccc(CC(Br)CCC2CCCO2)nc1
InChIInChI=1S/C14H20BrNO/c1-11-4-6-13(16-10-11)9-12(15)5-7-14-3-2-8-17-14/h4,6,10,12,14H,2-3,5,7-9H2,1H3
InChIKeyPMUUSQSWUOZQFV-UHFFFAOYSA-N
XLogP3.66
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-methyl-2-pyridinyl)-4-(oxolan-2-yl)butan-2-ol
CID 66461132
4-[2-bromo-4-(oxolan-2-yl)butyl]-6-methoxypyrimidine
CID 113397612
[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105334555
[1-(5-bromo-2-pyridinyl)-4-(oxan-2-yl)butan-2-yl]hydrazine
CID 105334479
1-(5-ethyl-2-pyridinyl)-4-(oxan-2-yl)butan-2-ol
CID 115822339
1-cyclopentyl-2-(5-methyl-2-pyridinyl)ethanamine
CID 66446145
2-(3-bromo-4-thiophen-2-ylbutyl)oxane
CID 63950801
1-(6-methyl-3-pyridinyl)-3-(oxolan-2-yl)propan-1-ol
CID 104822985
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
2-[2-bromo-2-(5-methyloxolan-3-yl)ethyl]-5-methylpyridine
CID 114824015
2-(5-methyl-2-pyridinyl)-1-(oxolan-3-yl)ethanamine
CID 66445949
1-(4-methylphenyl)-4-(oxan-2-yl)butan-2-amine
CID 63951755

Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine?
The IUPAC name of 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine (CID 66454874) is 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine.
What is the SMILES notation for 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine?
The canonical SMILES for 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine is Cc1ccc(CC(Br)CCC2CCCO2)nc1.
What is the InChIKey of 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine?
The InChIKey is PMUUSQSWUOZQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO/c1-11-4-6-13(16-10-11)9-12(15)5-7-14-3-2-8-17-14/h4,6,10,12,14H,2-3,5,7-9H2,1H3.
What are the key properties of 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine?
2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine has a molecular weight of 298.22 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(oxolan-2-yl)butyl]-5-methylpyridine is sourced from PubChem (CID 66454874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).