2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine

C11H16BrNO3S — CID 79169208

IUPAC2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
SMILESCCS(=O)(=O)CCOc1ccc(C)nc1CBr
InChIInChI=1S/C11H16BrNO3S/c1-3-17(14,15)7-6-16-11-5-4-9(2)13-10(11)8-12/h4-5H,3,6-8H2,1-2H3
InChIKeyDZQFXLIZNDTDNP-UHFFFAOYSA-N
MW322.22 g/mol
LogP2.10
Rot. Bonds6

About 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine

2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine (PubChem CID 79169208) has the molecular formula C11H16BrNO3S and a molecular weight of 322.22 g/mol. Its IUPAC name is 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
PubChem CID79169208
Molecular FormulaC11H16BrNO3S
Molecular Weight322.22 g/mol
Exact Mass321.00
IUPAC Name2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine
SMILESCCS(=O)(=O)CCOc1ccc(C)nc1CBr
InChIInChI=1S/C11H16BrNO3S/c1-3-17(14,15)7-6-16-11-5-4-9(2)13-10(11)8-12/h4-5H,3,6-8H2,1-2H3
InChIKeyDZQFXLIZNDTDNP-UHFFFAOYSA-N
XLogP2.10
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-6-methyl-3-(2-propan-2-ylsulfonylethoxy)pyridine
CID 106726592
2-ethyl-6-methyl-3-(3-methylsulfonylpropoxy)pyridine
CID 99831600
2-(bromomethyl)-6-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyridine
CID 112590230
2-(bromomethyl)-6-methyl-3-[(6-methyl-2-pyridinyl)methoxy]pyridine
CID 79260859
2-(bromomethyl)-3-[(4-ethylphenyl)methoxy]-6-methylpyridine
CID 79169382
2-[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]ethoxy]ethanesulfonyl chloride
CID 103176066
N-[[3-(3-ethylsulfonylpropoxy)-6-methyl-2-pyridinyl]methyl]cyclopropanamine
CID 79158766
3-[3-(2-ethylsulfonylethoxy)-6-methyl-2-pyridinyl]prop-2-enoic acid
CID 79169476
N-[[6-methyl-3-(2-methylsulfonylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79150598
2-bromo-4-(bromomethyl)-1-(2-ethylsulfonylethoxy)benzene
CID 63052658
2-(bromomethyl)-6-methyl-3-(2-pyridin-3-ylethoxy)pyridine
CID 79169387
2-[6-methyl-3-(2-propan-2-ylsulfonylethoxy)-2-pyridinyl]ethanamine
CID 106728413

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine?
The IUPAC name of 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine (CID 79169208) is 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine.
What is the SMILES notation for 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine?
The canonical SMILES for 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine is CCS(=O)(=O)CCOc1ccc(C)nc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine?
The InChIKey is DZQFXLIZNDTDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrNO3S/c1-3-17(14,15)7-6-16-11-5-4-9(2)13-10(11)8-12/h4-5H,3,6-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine?
2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine has a molecular weight of 322.22 g/mol, XLogP of 2.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-(2-ethylsulfonylethoxy)-6-methylpyridine is sourced from PubChem (CID 79169208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).