5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid

C14H11BrN2O4 — CID 63851160

IUPAC5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESO=C(COc1cncc(C(=O)O)c1)Nc1ccccc1Br
InChIInChI=1S/C14H11BrN2O4/c15-11-3-1-2-4-12(11)17-13(18)8-21-10-5-9(14(19)20)6-16-7-10/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyKXFJBKLJXXOKCZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.56
Rot. Bonds5

About 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid

5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid (PubChem CID 63851160) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid
PubChem CID63851160
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid
SMILESO=C(COc1cncc(C(=O)O)c1)Nc1ccccc1Br
InChIInChI=1S/C14H11BrN2O4/c15-11-3-1-2-4-12(11)17-13(18)8-21-10-5-9(14(19)20)6-16-7-10/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyKXFJBKLJXXOKCZ-UHFFFAOYSA-N
XLogP2.56
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.16
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-(2-bromoanilino)-2-oxoethoxy]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

N-(2-bromophenyl)-2-(4-phenylphenoxy)acetamide
CID 1193865
N-(2-bromophenyl)-2-[[6-(methylaminomethyl)-3-pyridinyl]oxy]acetamide
CID 79781844
N-(2-bromophenyl)-2-(4-formylphenoxy)acetamide
CID 23410083
N-(2-bromophenyl)-2-(4-propoxyphenoxy)acetamide
CID 42989399
N-(2-bromophenyl)-2-quinolin-6-yloxyacetamide
CID 112978725
5-[2-(3-methylbutan-2-ylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55256600
N-(2-bromophenyl)-2-(3-fluoro-4-methylphenoxy)acetamide
CID 107171288
N-(2-bromophenyl)-2-quinoxalin-2-yloxyacetamide
CID 2096177
3-[2-(2-methylanilino)-2-oxoethoxy]benzoic acid
CID 3420785
3-[2-(2-iodoanilino)-2-oxoethoxy]benzoic acid
CID 43215098
5-[2-(ethylcarbamoylamino)-2-oxoethoxy]pyridine-3-carboxylic acid
CID 55258894
N-(2-bromophenyl)-2-(4-propylphenoxy)acetamide
CID 19180395

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid (CID 63851160) is 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid is O=C(COc1cncc(C(=O)O)c1)Nc1ccccc1Br.
What is the InChIKey of 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid?
The InChIKey is KXFJBKLJXXOKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c15-11-3-1-2-4-12(11)17-13(18)8-21-10-5-9(14(19)20)6-16-7-10/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid?
5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid has a molecular weight of 351.16 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-bromoanilino)-2-oxoethoxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 63851160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).