2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid

C15H14BrNO4 — CID 104706888

IUPAC2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C15H14BrNO4/c1-3-10-6-9(15(18)19)7-14(17-10)21-13-5-4-11(20-2)8-12(13)16/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyFNOQSQZZFKWQEO-UHFFFAOYSA-N
MW352.18 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid

2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid (PubChem CID 104706888) has the molecular formula C15H14BrNO4 and a molecular weight of 352.18 g/mol. Its IUPAC name is 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
PubChem CID104706888
Molecular FormulaC15H14BrNO4
Molecular Weight352.18 g/mol
Exact Mass351.01
IUPAC Name2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid
SMILESCCc1cc(C(=O)O)cc(Oc2ccc(OC)cc2Br)n1
InChIInChI=1S/C15H14BrNO4/c1-3-10-6-9(15(18)19)7-14(17-10)21-13-5-4-11(20-2)8-12(13)16/h4-8H,3H2,1-2H3,(H,18,19)
InChIKeyFNOQSQZZFKWQEO-UHFFFAOYSA-N
XLogP3.91
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-6-ethylpyridine-4-carboxylic acid
CID 113379603
[6-(2-bromo-4-methoxyphenoxy)-2-pyridinyl]methanamine
CID 113443515
1-[6-(2-bromo-4-methoxyphenoxy)-3-pyridinyl]ethanone
CID 113443679
3-amino-4-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708160
2-(2-bromo-4-methylphenoxy)-6-chloropyridine-4-carboxylic acid
CID 43343579
2-[(4-ethyl-1,3-thiazol-2-yl)oxy]-5-methoxybenzoic acid
CID 62961025
2-ethyl-6-[2-(2-methoxyethoxy)ethoxy]pyridine-4-carboxylic acid
CID 104560469
2-amino-5-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104708170
2-ethyl-6-(4-methylpentan-2-yloxy)pyridine-4-carboxylic acid
CID 113379615
[6-(2-bromo-4-methoxyphenoxy)pyridazin-3-yl]methanamine
CID 104708330
4-bromo-2-(2-bromo-4-methoxyphenoxy)benzoic acid
CID 104707938
2-(2-bromo-4-methoxyphenoxy)-5-chlorobenzoic acid
CID 104706931

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid?
The IUPAC name of 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid (CID 104706888) is 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid?
The canonical SMILES for 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid is CCc1cc(C(=O)O)cc(Oc2ccc(OC)cc2Br)n1.
What is the InChIKey of 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid?
The InChIKey is FNOQSQZZFKWQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO4/c1-3-10-6-9(15(18)19)7-14(17-10)21-13-5-4-11(20-2)8-12(13)16/h4-8H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid?
2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid has a molecular weight of 352.18 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methoxyphenoxy)-6-ethylpyridine-4-carboxylic acid is sourced from PubChem (CID 104706888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).