5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine

C12H18BrNO3S — CID 148672068

IUPAC5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine
SMILESCOc1ncc(Br)c(C)c1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C12H18BrNO3S/c1-8-9(13)6-14-11(17-5)10(8)18(15,16)7-12(2,3)4/h6H,7H2,1-5H3
InChIKeyNPXKGVBTPZVGAY-UHFFFAOYSA-N
MW336.25 g/mol
LogP2.98
Rot. Bonds3

About 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine

5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine (PubChem CID 148672068) has the molecular formula C12H18BrNO3S and a molecular weight of 336.25 g/mol. Its IUPAC name is 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine.

Molecular Properties

Compound Name5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine
PubChem CID148672068
Molecular FormulaC12H18BrNO3S
Molecular Weight336.25 g/mol
Exact Mass335.02
IUPAC Name5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine
SMILESCOc1ncc(Br)c(C)c1S(=O)(=O)CC(C)(C)C
InChIInChI=1S/C12H18BrNO3S/c1-8-9(13)6-14-11(17-5)10(8)18(15,16)7-12(2,3)4/h6H,7H2,1-5H3
InChIKeyNPXKGVBTPZVGAY-UHFFFAOYSA-N
XLogP2.98
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.25
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-methoxy-4-methyl-3-propan-2-ylpyridine
CID 163293521
4-bromo-7-methoxy-1-methylsulfonylpyrrolo[2,3-c]pyridine
CID 118246593
5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide
CID 118298898
4-bromo-2-methoxy-3,5-dimethylpyridine
CID 67811684
7-bromo-4-methoxy-[1,2,5]thiadiazolo[3,4-c]pyridine
CID 149181208
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682
1-[(5-bromo-4-methoxypyrimidin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 103872979
5-bromo-N-(1-chloro-2-methylpropan-2-yl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106999859
5-bromo-N-(3,5-dimethylphenyl)-4-methoxy-N-methylpyrimidin-2-amine
CID 106998870
5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide
CID 71131413
4-bromo-1-methoxy-6-methylisoquinoline
CID 84707543

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine?
The IUPAC name of 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine (CID 148672068) is 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine.
What is the SMILES notation for 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine?
The canonical SMILES for 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine is COc1ncc(Br)c(C)c1S(=O)(=O)CC(C)(C)C.
What is the InChIKey of 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine?
The InChIKey is NPXKGVBTPZVGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO3S/c1-8-9(13)6-14-11(17-5)10(8)18(15,16)7-12(2,3)4/h6H,7H2,1-5H3.
What are the key properties of 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine?
5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine has a molecular weight of 336.25 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2,2-dimethylpropylsulfonyl)-2-methoxy-4-methylpyridine is sourced from PubChem (CID 148672068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).