4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid

C14H11BrN2O4 — CID 63650319

IUPAC4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(COc1cccc(Br)c1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11BrN2O4/c15-9-2-1-3-11(6-9)21-8-13(18)17-10-4-5-16-12(7-10)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeyQIHINTNUNOOKDZ-UHFFFAOYSA-N
MW351.16 g/mol
LogP2.56
Rot. Bonds5

About 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid

4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid (PubChem CID 63650319) has the molecular formula C14H11BrN2O4 and a molecular weight of 351.16 g/mol. Its IUPAC name is 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
PubChem CID63650319
Molecular FormulaC14H11BrN2O4
Molecular Weight351.16 g/mol
Exact Mass349.99
IUPAC Name4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
SMILESO=C(COc1cccc(Br)c1)Nc1ccnc(C(=O)O)c1
InChIInChI=1S/C14H11BrN2O4/c15-9-2-1-3-11(6-9)21-8-13(18)17-10-4-5-16-12(7-10)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18)
InChIKeyQIHINTNUNOOKDZ-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 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-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-[2-(3-bromoanilino)-2-oxoethoxy]pyridine-2-carboxylic acid
CID 79789743
N-(3-bromophenyl)-2-(3-hydroxyphenoxy)acetamide
CID 43143567
2-(3-bromophenoxy)-N-(3-ethylphenyl)acetamide
CID 7935227
2-(3-bromophenoxy)-N-(3-ethynylphenyl)acetamide
CID 46584991
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
3-[[2-(3-bromophenoxy)acetyl]amino]-N,N-diethylbenzamide
CID 27875323
phenyl 4-[[2-(3-bromophenoxy)acetyl]amino]-2-hydroxybenzoate
CID 19171429
5-[[2-(3-bromophenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43474292
2-(3-bromophenoxy)-N-(4-sulfamoylphenyl)acetamide
CID 1120128
2-[[2-(3-bromophenoxy)acetyl]amino]thiophene-3-carboxylic acid
CID 43171472
N-(4-acetyl-1,3-thiazol-2-yl)-2-(3-bromophenoxy)acetamide
CID 9451872

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid (CID 63650319) is 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid is O=C(COc1cccc(Br)c1)Nc1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
The InChIKey is QIHINTNUNOOKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O4/c15-9-2-1-3-11(6-9)21-8-13(18)17-10-4-5-16-12(7-10)14(19)20/h1-7H,8H2,(H,19,20)(H,16,17,18).
What are the key properties of 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid?
4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-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 4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).