5-bromo-2-(3-methylsulfonylpropoxy)pyridine

C9H12BrNO3S — CID 119086341

IUPAC5-bromo-2-(3-methylsulfonylpropoxy)pyridine
SMILESCS(=O)(=O)CCCOc1ccc(Br)cn1
InChIInChI=1S/C9H12BrNO3S/c1-15(12,13)6-2-5-14-9-4-3-8(10)7-11-9/h3-4,7H,2,5-6H2,1H3
InChIKeyOVTXNXQUZZFEDV-UHFFFAOYSA-N
MW294.17 g/mol
LogP1.66
Rot. Bonds5

About 5-bromo-2-(3-methylsulfonylpropoxy)pyridine

5-bromo-2-(3-methylsulfonylpropoxy)pyridine (PubChem CID 119086341) has the molecular formula C9H12BrNO3S and a molecular weight of 294.17 g/mol. Its IUPAC name is 5-bromo-2-(3-methylsulfonylpropoxy)pyridine.

Molecular Properties

Compound Name5-bromo-2-(3-methylsulfonylpropoxy)pyridine
PubChem CID119086341
Molecular FormulaC9H12BrNO3S
Molecular Weight294.17 g/mol
Exact Mass292.97
IUPAC Name5-bromo-2-(3-methylsulfonylpropoxy)pyridine
SMILESCS(=O)(=O)CCCOc1ccc(Br)cn1
InChIInChI=1S/C9H12BrNO3S/c1-15(12,13)6-2-5-14-9-4-3-8(10)7-11-9/h3-4,7H,2,5-6H2,1H3
InChIKeyOVTXNXQUZZFEDV-UHFFFAOYSA-N
XLogP1.66
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.17
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-3-(3-methylsulfonylpropoxy)pyridine
CID 63239076
4-bromo-1-fluoro-2-(3-methylsulfonylpropoxy)benzene
CID 115918306
5-bromo-2-[2-(3-methoxypropoxy)ethoxy]pyridine
CID 103179380
5-bromo-2-[3-(1-methylpiperidin-4-yl)propoxy]pyridine
CID 57434768
5-bromo-2-[(1-methylcyclopropyl)methoxy]pyridine
CID 97178675
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
5-bromo-2-methoxypyridine
CID 2734895
tert-butyl 2-[2-[2-[2-[2-[2-[(5-bromo-2-pyridinyl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetate
CID 134481656
(1S)-1-[4-bromo-2-(3-methylsulfonylpropoxy)phenyl]ethanol
CID 102948973
N-[(5-bromo-2-pyridinyl)methyl]-N-methyl-2-methylsulfonylethanamine
CID 115622483
2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
CID 79799571
methyl 2-[(5-bromo-2-pyridinyl)oxy]acetate
CID 67448774

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-methylsulfonylpropoxy)pyridine?
The IUPAC name of 5-bromo-2-(3-methylsulfonylpropoxy)pyridine (CID 119086341) is 5-bromo-2-(3-methylsulfonylpropoxy)pyridine.
What is the SMILES notation for 5-bromo-2-(3-methylsulfonylpropoxy)pyridine?
The canonical SMILES for 5-bromo-2-(3-methylsulfonylpropoxy)pyridine is CS(=O)(=O)CCCOc1ccc(Br)cn1.
What is the InChIKey of 5-bromo-2-(3-methylsulfonylpropoxy)pyridine?
The InChIKey is OVTXNXQUZZFEDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO3S/c1-15(12,13)6-2-5-14-9-4-3-8(10)7-11-9/h3-4,7H,2,5-6H2,1H3.
What are the key properties of 5-bromo-2-(3-methylsulfonylpropoxy)pyridine?
5-bromo-2-(3-methylsulfonylpropoxy)pyridine has a molecular weight of 294.17 g/mol, XLogP of 1.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-methylsulfonylpropoxy)pyridine is sourced from PubChem (CID 119086341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).