3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one

C6H5ClF2N2O — CID 112547290

IUPAC3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one
SMILESNc1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C6H5ClF2N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,10H2,(H,11,12)
InChIKeyXFHWEKUVVQTOPJ-UHFFFAOYSA-N
MW194.57 g/mol
LogP1.25
Rot. Bonds1

About 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one

3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one (PubChem CID 112547290) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one
PubChem CID112547290
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one
SMILESNc1ccc(C(F)(F)Cl)[nH]c1=O
InChIInChI=1S/C6H5ClF2N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,10H2,(H,11,12)
InChIKeyXFHWEKUVVQTOPJ-UHFFFAOYSA-N
XLogP1.25
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The IUPAC name of 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one (CID 112547290) is 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one is Nc1ccc(C(F)(F)Cl)[nH]c1=O.
What is the InChIKey of 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The InChIKey is XFHWEKUVVQTOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c7-6(8,9)4-2-1-3(10)5(12)11-4/h1-2H,10H2,(H,11,12).
What are the key properties of 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one?
3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one has a molecular weight of 194.57 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[chloro(difluoro)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 112547290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).