5-acetyl-4-amino-6-chloro-1H-pyridin-2-one

C7H7ClN2O2 — CID 133062359

IUPAC5-acetyl-4-amino-6-chloro-1H-pyridin-2-one
SMILESCC(=O)c1c(N)cc(=O)[nH]c1Cl
InChIInChI=1S/C7H7ClN2O2/c1-3(11)6-4(9)2-5(12)10-7(6)8/h2H,1H3,(H3,9,10,12)
InChIKeyVRVWZZWONWXLRD-UHFFFAOYSA-N
MW186.60 g/mol
LogP0.81
Rot. Bonds1

About 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one

5-acetyl-4-amino-6-chloro-1H-pyridin-2-one (PubChem CID 133062359) has the molecular formula C7H7ClN2O2 and a molecular weight of 186.60 g/mol. Its IUPAC name is 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-4-amino-6-chloro-1H-pyridin-2-one
PubChem CID133062359
Molecular FormulaC7H7ClN2O2
Molecular Weight186.60 g/mol
Exact Mass186.02
IUPAC Name5-acetyl-4-amino-6-chloro-1H-pyridin-2-one
SMILESCC(=O)c1c(N)cc(=O)[nH]c1Cl
InChIInChI=1S/C7H7ClN2O2/c1-3(11)6-4(9)2-5(12)10-7(6)8/h2H,1H3,(H3,9,10,12)
InChIKeyVRVWZZWONWXLRD-UHFFFAOYSA-N
XLogP0.81
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.60
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one?
The IUPAC name of 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one (CID 133062359) is 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one.
What is the SMILES notation for 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one?
The canonical SMILES for 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one is CC(=O)c1c(N)cc(=O)[nH]c1Cl.
What is the InChIKey of 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one?
The InChIKey is VRVWZZWONWXLRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O2/c1-3(11)6-4(9)2-5(12)10-7(6)8/h2H,1H3,(H3,9,10,12).
What are the key properties of 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one?
5-acetyl-4-amino-6-chloro-1H-pyridin-2-one has a molecular weight of 186.60 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-6-chloro-1H-pyridin-2-one is sourced from PubChem (CID 133062359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).