2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid

C14H11ClN2O4 — CID 63377003

IUPAC2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccccc1Oc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClN2O4/c1-8(18)16-10-4-2-3-5-11(10)21-13-9(14(19)20)6-7-12(15)17-13/h2-7H,1H3,(H,16,18)(H,19,20)
InChIKeyLQYDHRPXQHWVPR-UHFFFAOYSA-N
MW306.71 g/mol
LogP3.18
Rot. Bonds4

About 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid

2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid (PubChem CID 63377003) has the molecular formula C14H11ClN2O4 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
PubChem CID63377003
Molecular FormulaC14H11ClN2O4
Molecular Weight306.71 g/mol
Exact Mass306.04
IUPAC Name2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid
SMILESCC(=O)Nc1ccccc1Oc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C14H11ClN2O4/c1-8(18)16-10-4-2-3-5-11(10)21-13-9(14(19)20)6-7-12(15)17-13/h2-7H,1H3,(H,16,18)(H,19,20)
InChIKeyLQYDHRPXQHWVPR-UHFFFAOYSA-N
XLogP3.18
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-(2-acetamidophenoxy)-6-chloropyridine-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

6-chloro-2-(2-fluorophenoxy)pyridine-3-carboxylic acid
CID 55185255
2-(2-bromophenoxy)-6-chloropyridine-3-carboxylic acid
CID 63376743
6-chloro-2-phenoxypyridine-3-carboxylic acid
CID 63376812
6-chloro-2-(2-propoxyphenoxy)pyridine-3-carboxylic acid
CID 63376427
2-(2-acetamidophenoxy)-5-chloropyridine-4-carboxylic acid
CID 114916812
N-[2-(6-chloro-2-methylpyrimidin-4-yl)oxyphenyl]acetamide
CID 62483341
N-[2-[(4-chloro-1,3-thiazol-2-yl)oxy]phenyl]acetamide
CID 83153581
6-(2-acetamidophenoxy)-5-aminopyridine-2-carboxylic acid
CID 114408530
2-(2-acetamidophenoxy)-4-methylpyrimidine-5-carboxylic acid
CID 83178889
6-chloro-2-(4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 63376924
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846
N-[2-[(2-chloro-5-methyl-4-pyridinyl)oxy]phenyl]acetamide
CID 83268145

Frequently Asked Questions

What is the IUPAC name of 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid?
The IUPAC name of 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid (CID 63377003) is 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid?
The canonical SMILES for 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid is CC(=O)Nc1ccccc1Oc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid?
The InChIKey is LQYDHRPXQHWVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O4/c1-8(18)16-10-4-2-3-5-11(10)21-13-9(14(19)20)6-7-12(15)17-13/h2-7H,1H3,(H,16,18)(H,19,20).
What are the key properties of 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid?
2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid has a molecular weight of 306.71 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-acetamidophenoxy)-6-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 63377003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).