2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine

C15H16BrNO2 — CID 107724263

IUPAC2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
SMILESCCOc1cccnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H16BrNO2/c1-4-18-13-6-5-7-17-15(13)19-12-8-10(2)14(16)11(3)9-12/h5-9H,4H2,1-3H3
InChIKeyDKHDWDJTQFOOFF-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.65
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine

2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine (PubChem CID 107724263) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
PubChem CID107724263
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC Name2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
SMILESCCOc1cccnc1Oc1cc(C)c(Br)c(C)c1
InChIInChI=1S/C15H16BrNO2/c1-4-18-13-6-5-7-17-15(13)19-12-8-10(2)14(16)11(3)9-12/h5-9H,4H2,1-3H3
InChIKeyDKHDWDJTQFOOFF-UHFFFAOYSA-N
XLogP4.65
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-ethoxy-2-pyridinyl)oxy]phenol
CID 113371152
[2-(4-bromo-3,5-dimethylphenoxy)-4-methyl-3-pyridinyl]methanamine
CID 107722443
3-bromo-2-(4-chloro-3,5-dimethylphenoxy)pyridine
CID 63462709
3-bromo-2-(3-ethoxyphenoxy)-4-methylpyridine
CID 106877996
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
CID 113370726
2-methyl-4-[(3-propoxy-2-pyridinyl)oxy]benzoic acid
CID 107672662
2-(4-bromo-3-methylphenoxy)-3-methylpyridine
CID 83139867
[2-(4-bromo-3,5-dimethylphenoxy)-3-chloro-4-pyridinyl]methanamine
CID 107722438
3-ethoxy-2-[(6-methyl-3-pyridinyl)methoxy]pyridine
CID 154502241
5-(4-bromo-3,5-dimethylphenoxy)quinolin-8-amine
CID 107722592
6-(4-bromo-3,5-dimethylphenoxy)quinolin-5-amine
CID 107722598
1-[2-(4-bromo-3,5-dimethylphenoxy)phenyl]-N-methylpropan-1-amine
CID 107724832

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine?
The IUPAC name of 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine (CID 107724263) is 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine is CCOc1cccnc1Oc1cc(C)c(Br)c(C)c1.
What is the InChIKey of 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine?
The InChIKey is DKHDWDJTQFOOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-4-18-13-6-5-7-17-15(13)19-12-8-10(2)14(16)11(3)9-12/h5-9H,4H2,1-3H3.
What are the key properties of 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine?
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine has a molecular weight of 322.20 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine is sourced from PubChem (CID 107724263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).