6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one

C7H6ClF2NO — CID 134947121

IUPAC6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one
SMILESCC(F)(F)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H6ClF2NO/c1-7(9,10)4-2-3-5(12)11-6(4)8/h2-3H,1H3,(H,11,12)
InChIKeyOHRVHWLSGNIAJE-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.14
Rot. Bonds1

About 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one

6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one (PubChem CID 134947121) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one
PubChem CID134947121
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one
SMILESCC(F)(F)c1ccc(=O)[nH]c1Cl
InChIInChI=1S/C7H6ClF2NO/c1-7(9,10)4-2-3-5(12)11-6(4)8/h2-3H,1H3,(H,11,12)
InChIKeyOHRVHWLSGNIAJE-UHFFFAOYSA-N
XLogP2.14
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one?
The IUPAC name of 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one (CID 134947121) is 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one is CC(F)(F)c1ccc(=O)[nH]c1Cl.
What is the InChIKey of 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one?
The InChIKey is OHRVHWLSGNIAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-7(9,10)4-2-3-5(12)11-6(4)8/h2-3H,1H3,(H,11,12).
What are the key properties of 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one?
6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one has a molecular weight of 193.58 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(1,1-difluoroethyl)-1H-pyridin-2-one is sourced from PubChem (CID 134947121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).