5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid

C14H12BrNO3 — CID 114203037

IUPAC5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid
SMILESCCc1cccc(Oc2cc(Br)cnc2C(=O)O)c1
InChIInChI=1S/C14H12BrNO3/c1-2-9-4-3-5-11(6-9)19-12-7-10(15)8-16-13(12)14(17)18/h3-8H,2H2,1H3,(H,17,18)
InChIKeyWKXAWHLVVWFEAF-UHFFFAOYSA-N
MW322.16 g/mol
LogP3.90
Rot. Bonds4

About 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid

5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid (PubChem CID 114203037) has the molecular formula C14H12BrNO3 and a molecular weight of 322.16 g/mol. Its IUPAC name is 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid
PubChem CID114203037
Molecular FormulaC14H12BrNO3
Molecular Weight322.16 g/mol
Exact Mass321.00
IUPAC Name5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid
SMILESCCc1cccc(Oc2cc(Br)cnc2C(=O)O)c1
InChIInChI=1S/C14H12BrNO3/c1-2-9-4-3-5-11(6-9)19-12-7-10(15)8-16-13(12)14(17)18/h3-8H,2H2,1H3,(H,17,18)
InChIKeyWKXAWHLVVWFEAF-UHFFFAOYSA-N
XLogP3.90
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.16
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-ethylphenoxy)benzoyl bromide
CID 139662785
1-[5-bromo-2-(3-ethylphenoxy)-3-pyridinyl]-N-methylmethanamine
CID 62297750
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CID 171832438
4-(3-ethylphenoxy)pyridine-2-carboxylic acid
CID 43326028
2-(3-ethylphenoxy)-4-methylbenzoic acid
CID 63513493
3-(3-ethylphenoxy)-2-nitrobenzoic acid
CID 115540994
4-bromo-2-(3-ethoxyphenoxy)benzoic acid
CID 62335777
(2S)-2-(3-ethylphenoxy)propanoic acid
CID 10845483
2-chloro-6-(3-ethylphenoxy)pyridine-4-carboxylic acid
CID 43166912
5-chloro-2-[2-(3-ethylphenoxy)acetyl]oxybenzoic acid
CID 54854867
2-[2-[2-(3-ethylphenoxy)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82423868
[4-(3-ethylphenoxy)-6-methyl-3-pyridinyl]methanamine
CID 81255400

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid (CID 114203037) is 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid is CCc1cccc(Oc2cc(Br)cnc2C(=O)O)c1.
What is the InChIKey of 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid?
The InChIKey is WKXAWHLVVWFEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO3/c1-2-9-4-3-5-11(6-9)19-12-7-10(15)8-16-13(12)14(17)18/h3-8H,2H2,1H3,(H,17,18).
What are the key properties of 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid?
5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid has a molecular weight of 322.16 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(3-ethylphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 114203037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).