2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide

C7H5ClN2O3 — CID 144505227

IUPAC2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide
SMILESO=NC(=O)COc1ccnc(Cl)c1
InChIInChI=1S/C7H5ClN2O3/c8-6-3-5(1-2-9-6)13-4-7(11)10-12/h1-3H,4H2
InChIKeyQCGSYOZYLKRUFU-UHFFFAOYSA-N
MW200.58 g/mol
LogP1.41
Rot. Bonds3

About 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide

2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide (PubChem CID 144505227) has the molecular formula C7H5ClN2O3 and a molecular weight of 200.58 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide
PubChem CID144505227
Molecular FormulaC7H5ClN2O3
Molecular Weight200.58 g/mol
Exact Mass200.00
IUPAC Name2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide
SMILESO=NC(=O)COc1ccnc(Cl)c1
InChIInChI=1S/C7H5ClN2O3/c8-6-3-5(1-2-9-6)13-4-7(11)10-12/h1-3H,4H2
InChIKeyQCGSYOZYLKRUFU-UHFFFAOYSA-N
XLogP1.41
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.58
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide (CID 144505227) is 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide is O=NC(=O)COc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide?
The InChIKey is QCGSYOZYLKRUFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O3/c8-6-3-5(1-2-9-6)13-4-7(11)10-12/h1-3H,4H2.
What are the key properties of 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide?
2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide has a molecular weight of 200.58 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)oxy]-N-oxoacetamide is sourced from PubChem (CID 144505227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).