N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide

C7H6Cl2N2O2 — CID 23242570

IUPACN-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(Cl)[nH]c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-3(12)10-6-4(8)2-5(9)11-7(6)13/h2H,1H3,(H,10,12)(H,11,13)
InChIKeyJMCDQWJSEKGXIT-UHFFFAOYSA-N
MW221.04 g/mol
LogP1.64
Rot. Bonds1

About N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide

N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide (PubChem CID 23242570) has the molecular formula C7H6Cl2N2O2 and a molecular weight of 221.04 g/mol. Its IUPAC name is N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide
PubChem CID23242570
Molecular FormulaC7H6Cl2N2O2
Molecular Weight221.04 g/mol
Exact Mass219.98
IUPAC NameN-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide
SMILESCC(=O)Nc1c(Cl)cc(Cl)[nH]c1=O
InChIInChI=1S/C7H6Cl2N2O2/c1-3(12)10-6-4(8)2-5(9)11-7(6)13/h2H,1H3,(H,10,12)(H,11,13)
InChIKeyJMCDQWJSEKGXIT-UHFFFAOYSA-N
XLogP1.64
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.04
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide?
The IUPAC name of N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide (CID 23242570) is N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide.
What is the SMILES notation for N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide?
The canonical SMILES for N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide is CC(=O)Nc1c(Cl)cc(Cl)[nH]c1=O.
What is the InChIKey of N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide?
The InChIKey is JMCDQWJSEKGXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2O2/c1-3(12)10-6-4(8)2-5(9)11-7(6)13/h2H,1H3,(H,10,12)(H,11,13).
What are the key properties of N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide?
N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide has a molecular weight of 221.04 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dichloro-2-oxo-1H-pyridin-3-yl)acetamide is sourced from PubChem (CID 23242570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).