5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid

C14H13BrN2O3 — CID 84611034

IUPAC5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
SMILESCCOc1ccccc1Nc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C14H13BrN2O3/c1-2-20-12-6-4-3-5-11(12)17-13-10(15)7-9(8-16-13)14(18)19/h3-8H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyIMPBTSPYANJNJP-UHFFFAOYSA-N
MW337.17 g/mol
LogP3.68
Rot. Bonds5

About 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid

5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid (PubChem CID 84611034) has the molecular formula C14H13BrN2O3 and a molecular weight of 337.17 g/mol. Its IUPAC name is 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
PubChem CID84611034
Molecular FormulaC14H13BrN2O3
Molecular Weight337.17 g/mol
Exact Mass336.01
IUPAC Name5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid
SMILESCCOc1ccccc1Nc1ncc(C(=O)O)cc1Br
InChIInChI=1S/C14H13BrN2O3/c1-2-20-12-6-4-3-5-11(12)17-13-10(15)7-9(8-16-13)14(18)19/h3-8H,2H2,1H3,(H,16,17)(H,18,19)
InChIKeyIMPBTSPYANJNJP-UHFFFAOYSA-N
XLogP3.68
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-N-(2-ethoxyphenyl)pyridine-2,3-diamine
CID 61229826
5-bromo-6-(2,6-dimethylanilino)pyridine-3-carboxylic acid
CID 84604439
2-(2-ethoxyanilino)benzoic acid
CID 726510
5-bromo-6-ethoxypyridine-3-carboxylic acid
CID 66835474
3-bromo-4-(2-ethoxyphenoxy)benzoic acid
CID 82800711
5-bromo-N-(2-ethoxyphenyl)-2-hydrazinylpyridine-3-carboxamide
CID 62236676
5-chloro-N-(2-ethoxyphenyl)-3-fluoropyridin-2-amine
CID 79727364
3-[(2-ethoxyanilino)methyl]benzoic acid
CID 82096099
5-(2-ethoxyanilino)-1,3-thiazole-4-carboxylic acid
CID 64630275
3-chloro-2-N-(2-ethoxyphenyl)pyridine-2,5-diamine
CID 82486138
5-amino-2-(2-ethoxyanilino)pyridine-3-carbonitrile
CID 54938370
5-(2-ethoxyanilino)-N-methyl-N-phenylpyridine-2-carboxamide
CID 109197592

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid?
The IUPAC name of 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid (CID 84611034) is 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid is CCOc1ccccc1Nc1ncc(C(=O)O)cc1Br.
What is the InChIKey of 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid?
The InChIKey is IMPBTSPYANJNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3/c1-2-20-12-6-4-3-5-11(12)17-13-10(15)7-9(8-16-13)14(18)19/h3-8H,2H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid?
5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid has a molecular weight of 337.17 g/mol, XLogP of 3.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(2-ethoxyanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 84611034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).