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

C10H14BrNO3S — CID 79799571

IUPAC2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
SMILESCS(=O)(=O)CCCOc1ccc(CBr)nc1
InChIInChI=1S/C10H14BrNO3S/c1-16(13,14)6-2-5-15-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7H2,1H3
InChIKeyOXZPFBIUZKCHNC-UHFFFAOYSA-N
MW308.20 g/mol
LogP1.79
Rot. Bonds6

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

2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine (PubChem CID 79799571) has the molecular formula C10H14BrNO3S and a molecular weight of 308.20 g/mol. Its IUPAC name is 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine.

Molecular Properties

Compound Name2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
PubChem CID79799571
Molecular FormulaC10H14BrNO3S
Molecular Weight308.20 g/mol
Exact Mass306.99
IUPAC Name2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine
SMILESCS(=O)(=O)CCCOc1ccc(CBr)nc1
InChIInChI=1S/C10H14BrNO3S/c1-16(13,14)6-2-5-15-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7H2,1H3
InChIKeyOXZPFBIUZKCHNC-UHFFFAOYSA-N
XLogP1.79
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[5-(3-methylsulfonylpropoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 79783246
2-(bromomethyl)-5-octoxypyridine
CID 79799471
2-(bromomethyl)-5-decoxypyridine
CID 79799851
2-fluoro-5-(2-methylsulfonylethoxy)pyridine
CID 115371703
2-(bromomethyl)-5-[2-(trifluoromethylsulfanyl)ethoxy]pyridine
CID 116616479
N-[[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 79788512
2-(bromomethyl)-5-[[6-(bromomethyl)-3-pyridinyl]oxy-methylphosphoryl]oxypyridine
CID 175489670
2-(bromomethyl)-5-(ethoxymethoxy)pyridine
CID 79800750
1-[5-(3-ethylsulfonylpropoxy)-2-pyridinyl]butan-2-amine
CID 79795841
1-bromo-2-methyl-4-(3-methylsulfonylpropoxy)benzene
CID 81301844
5-bromo-2-(3-methylsulfonylpropoxy)pyridine
CID 119086341
(1S)-1-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 55190084

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine?
The IUPAC name of 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine (CID 79799571) is 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine.
What is the SMILES notation for 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine?
The canonical SMILES for 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine is CS(=O)(=O)CCCOc1ccc(CBr)nc1.
What is the InChIKey of 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine?
The InChIKey is OXZPFBIUZKCHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO3S/c1-16(13,14)6-2-5-15-10-4-3-9(7-11)12-8-10/h3-4,8H,2,5-7H2,1H3.
What are the key properties of 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine?
2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine has a molecular weight of 308.20 g/mol, XLogP of 1.79, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-(3-methylsulfonylpropoxy)pyridine is sourced from PubChem (CID 79799571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).