N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane

C10H13ClN2O3 — CID 153335046

IUPACN-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane
SMILESCCOC.O=CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C7H5ClN2O2.C3H8O/c8-5-1-2-6(9-3-5)10-7(12)4-11;1-3-4-2/h1-4H,(H,9,10,12);3H2,1-2H3
InChIKeyTXTMSNJYHNHALG-UHFFFAOYSA-N
MW244.68 g/mol
LogP1.53
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane

N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane (PubChem CID 153335046) has the molecular formula C10H13ClN2O3 and a molecular weight of 244.68 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane
PubChem CID153335046
Molecular FormulaC10H13ClN2O3
Molecular Weight244.68 g/mol
Exact Mass244.06
IUPAC NameN-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane
SMILESCCOC.O=CC(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C7H5ClN2O2.C3H8O/c8-5-1-2-6(9-3-5)10-7(12)4-11;1-3-4-2/h1-4H,(H,9,10,12);3H2,1-2H3
InChIKeyTXTMSNJYHNHALG-UHFFFAOYSA-N
XLogP1.53
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane (CID 153335046) is N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane is CCOC.O=CC(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane?
The InChIKey is TXTMSNJYHNHALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2.C3H8O/c8-5-1-2-6(9-3-5)10-7(12)4-11;1-3-4-2/h1-4H,(H,9,10,12);3H2,1-2H3.
What are the key properties of N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane?
N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane has a molecular weight of 244.68 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-oxoacetamide;methoxyethane is sourced from PubChem (CID 153335046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).