3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine

C17H20BrNO — CID 106877752

IUPAC3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
SMILESCCC(C)(C)c1ccc(Oc2nccc(C)c2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-5-17(3,4)13-6-8-14(9-7-13)20-16-15(18)12(2)10-11-19-16/h6-11H,5H2,1-4H3
InChIKeyHYIUNIHVNXCGDL-UHFFFAOYSA-N
MW334.26 g/mol
LogP5.63
Rot. Bonds4

About 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine

3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine (PubChem CID 106877752) has the molecular formula C17H20BrNO and a molecular weight of 334.26 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
PubChem CID106877752
Molecular FormulaC17H20BrNO
Molecular Weight334.26 g/mol
Exact Mass333.07
IUPAC Name3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine
SMILESCCC(C)(C)c1ccc(Oc2nccc(C)c2Br)cc1
InChIInChI=1S/C17H20BrNO/c1-5-17(3,4)13-6-8-14(9-7-13)20-16-15(18)12(2)10-11-19-16/h6-11H,5H2,1-4H3
InChIKeyHYIUNIHVNXCGDL-UHFFFAOYSA-N
XLogP5.63
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.26
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-methyl-2-(4-propoxyphenoxy)pyridine
CID 106877873
3-bromo-2-(4-butylphenoxy)-4-methylpyridine
CID 106878070
3-bromo-4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyridine
CID 106877981
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
3-bromo-2-(3-ethylphenoxy)-4-methylpyridine
CID 106877847
3-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyridine
CID 106878112
3-bromo-2-(3,3-dimethylbutoxy)-4-methylpyridine
CID 106878042
3-bromo-2-(2-ethylphenoxy)-4-methylpyridine
CID 106877891
1-(2-methylbutan-2-yl)-4-phenoxybenzene
CID 67473143
3-bromo-4-methyl-2-(2-methylphenoxy)pyridine
CID 106877761
5-iodo-2-[4-(2-methylbutan-2-yl)phenoxy]pyrimidine
CID 116649130
3-bromo-2-(3-bromo-5-fluorophenoxy)-4-methylpyridine
CID 106875367

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
The IUPAC name of 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine (CID 106877752) is 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine.
What is the SMILES notation for 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
The canonical SMILES for 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine is CCC(C)(C)c1ccc(Oc2nccc(C)c2Br)cc1.
What is the InChIKey of 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
The InChIKey is HYIUNIHVNXCGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO/c1-5-17(3,4)13-6-8-14(9-7-13)20-16-15(18)12(2)10-11-19-16/h6-11H,5H2,1-4H3.
What are the key properties of 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine?
3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine has a molecular weight of 334.26 g/mol, XLogP of 5.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-[4-(2-methylbutan-2-yl)phenoxy]pyridine is sourced from PubChem (CID 106877752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).