2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

C9H11ClN2O2 — CID 60807878

IUPAC2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)CCl)ccc1=O
InChIInChI=1S/C9H11ClN2O2/c1-2-12-6-7(3-4-9(12)14)11-8(13)5-10/h3-4,6H,2,5H2,1H3,(H,11,13)
InChIKeySVDJJUCRMRXMBF-UHFFFAOYSA-N
MW214.65 g/mol
LogP1.05
Rot. Bonds3

About 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide

2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (PubChem CID 60807878) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
PubChem CID60807878
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide
SMILESCCn1cc(NC(=O)CCl)ccc1=O
InChIInChI=1S/C9H11ClN2O2/c1-2-12-6-7(3-4-9(12)14)11-8(13)5-10/h3-4,6H,2,5H2,1H3,(H,11,13)
InChIKeySVDJJUCRMRXMBF-UHFFFAOYSA-N
XLogP1.05
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The IUPAC name of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide (CID 60807878) is 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide.
What is the SMILES notation for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The canonical SMILES for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is CCn1cc(NC(=O)CCl)ccc1=O.
What is the InChIKey of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
The InChIKey is SVDJJUCRMRXMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-2-12-6-7(3-4-9(12)14)11-8(13)5-10/h3-4,6H,2,5H2,1H3,(H,11,13).
What are the key properties of 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide?
2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide has a molecular weight of 214.65 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-ethyl-6-oxo-3-pyridinyl)acetamide is sourced from PubChem (CID 60807878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).