3-bromo-5-ethoxy-4-methoxypyridine

C8H10BrNO2 — CID 105490406

IUPAC3-bromo-5-ethoxy-4-methoxypyridine
SMILESCCOc1cncc(Br)c1OC
InChIInChI=1S/C8H10BrNO2/c1-3-12-7-5-10-4-6(9)8(7)11-2/h4-5H,3H2,1-2H3
InChIKeyWLJIRKVZVOGXAE-UHFFFAOYSA-N
MW232.08 g/mol
LogP2.25
Rot. Bonds3

About 3-bromo-5-ethoxy-4-methoxypyridine

3-bromo-5-ethoxy-4-methoxypyridine (PubChem CID 105490406) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 3-bromo-5-ethoxy-4-methoxypyridine.

Molecular Properties

Compound Name3-bromo-5-ethoxy-4-methoxypyridine
PubChem CID105490406
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name3-bromo-5-ethoxy-4-methoxypyridine
SMILESCCOc1cncc(Br)c1OC
InChIInChI=1S/C8H10BrNO2/c1-3-12-7-5-10-4-6(9)8(7)11-2/h4-5H,3H2,1-2H3
InChIKeyWLJIRKVZVOGXAE-UHFFFAOYSA-N
XLogP2.25
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-5-ethoxy-4-methoxyphenyl)propan-2-amine
CID 117465357
2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-pyridin-3-ylmethanamine
CID 4717383
(E)-3-(3-bromo-5-ethoxy-4-methoxyphenyl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854223
5-bromo-4-propoxypyridin-3-amine
CID 103518752
3-(3-bromo-5-ethoxy-4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 667087
5-bromo-2,4-diethoxypyridine
CID 1236662
1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopentan-1-amine
CID 117499479
4-bromo-5-ethoxypyridin-2-amine
CID 135394478
3-bromo-5-methoxypyridine-4-carbonitrile
CID 119091286
2-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylidene]-N-ethylbutan-1-amine
CID 79329879
2-(3-bromo-5-ethoxy-4-methoxyphenyl)-5,6-dimethoxy-1H-benzimidazole
CID 110532053

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-ethoxy-4-methoxypyridine?
The IUPAC name of 3-bromo-5-ethoxy-4-methoxypyridine (CID 105490406) is 3-bromo-5-ethoxy-4-methoxypyridine.
What is the SMILES notation for 3-bromo-5-ethoxy-4-methoxypyridine?
The canonical SMILES for 3-bromo-5-ethoxy-4-methoxypyridine is CCOc1cncc(Br)c1OC.
What is the InChIKey of 3-bromo-5-ethoxy-4-methoxypyridine?
The InChIKey is WLJIRKVZVOGXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-3-12-7-5-10-4-6(9)8(7)11-2/h4-5H,3H2,1-2H3.
What are the key properties of 3-bromo-5-ethoxy-4-methoxypyridine?
3-bromo-5-ethoxy-4-methoxypyridine has a molecular weight of 232.08 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-ethoxy-4-methoxypyridine is sourced from PubChem (CID 105490406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).