3-bromopyridine;3-(2-ethoxyphenoxy)pyridine

C18H17BrN2O2 — CID 118385972

IUPAC3-bromopyridine;3-(2-ethoxyphenoxy)pyridine
SMILESBrc1cccnc1.CCOc1ccccc1Oc1cccnc1
InChIInChI=1S/C13H13NO2.C5H4BrN/c1-2-15-12-7-3-4-8-13(12)16-11-6-5-9-14-10-11;6-5-2-1-3-7-4-5/h3-10H,2H2,1H3;1-4H
InChIKeyQIGGFSCRHNZATJ-UHFFFAOYSA-N
MW373.25 g/mol
LogP5.12
Rot. Bonds4

About 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine

3-bromopyridine;3-(2-ethoxyphenoxy)pyridine (PubChem CID 118385972) has the molecular formula C18H17BrN2O2 and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine.

Molecular Properties

Compound Name3-bromopyridine;3-(2-ethoxyphenoxy)pyridine
PubChem CID118385972
Molecular FormulaC18H17BrN2O2
Molecular Weight373.25 g/mol
Exact Mass372.05
IUPAC Name3-bromopyridine;3-(2-ethoxyphenoxy)pyridine
SMILESBrc1cccnc1.CCOc1ccccc1Oc1cccnc1
InChIInChI=1S/C13H13NO2.C5H4BrN/c1-2-15-12-7-3-4-8-13(12)16-11-6-5-9-14-10-11;6-5-2-1-3-7-4-5/h3-10H,2H2,1H3;1-4H
InChIKeyQIGGFSCRHNZATJ-UHFFFAOYSA-N
XLogP5.12
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.25
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromopyridine
CID 143579676
2-methyl-3-pyridin-3-yloxypyridine
CID 172764474
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CID 67321840
3-ethoxy-5-pyridin-3-yloxyaniline
CID 80748740
2-propoxy-6-pyridin-3-yloxyaniline
CID 113393434
3-bromo-4-pyridin-3-yloxypyridine
CID 11779936
1-[5-(2-ethoxyphenoxy)-2-pyridinyl]ethanol
CID 83124644
[3-bromo-5-(2-ethoxyphenoxy)phenyl]methanamine
CID 102814466
5-(2-ethoxyphenoxy)pyridine-2-carbothioamide
CID 115488829
[4-(2-ethoxyphenoxy)-2-pyridinyl]methanamine
CID 62298325
2,6-dipyridin-3-yloxyphenol
CID 139940524
N-[[4-(2-ethoxyphenoxy)-3-pyridinyl]methyl]ethanamine
CID 81250422

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine?
The IUPAC name of 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine (CID 118385972) is 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine.
What is the SMILES notation for 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine?
The canonical SMILES for 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine is Brc1cccnc1.CCOc1ccccc1Oc1cccnc1.
What is the InChIKey of 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine?
The InChIKey is QIGGFSCRHNZATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.C5H4BrN/c1-2-15-12-7-3-4-8-13(12)16-11-6-5-9-14-10-11;6-5-2-1-3-7-4-5/h3-10H,2H2,1H3;1-4H.
What are the key properties of 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine?
3-bromopyridine;3-(2-ethoxyphenoxy)pyridine has a molecular weight of 373.25 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine;3-(2-ethoxyphenoxy)pyridine is sourced from PubChem (CID 118385972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).