5-[chloro(difluoro)methyl]-1H-pyridin-2-one

C6H4ClF2NO — CID 2315451

IUPAC5-[chloro(difluoro)methyl]-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)Cl)c[nH]1
InChIInChI=1S/C6H4ClF2NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKeyIBVPOFNTUKAWDJ-UHFFFAOYSA-N
MW179.55 g/mol
LogP1.66
Rot. Bonds1

About 5-[chloro(difluoro)methyl]-1H-pyridin-2-one

5-[chloro(difluoro)methyl]-1H-pyridin-2-one (PubChem CID 2315451) has the molecular formula C6H4ClF2NO and a molecular weight of 179.55 g/mol. Its IUPAC name is 5-[chloro(difluoro)methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[chloro(difluoro)methyl]-1H-pyridin-2-one
PubChem CID2315451
Molecular FormulaC6H4ClF2NO
Molecular Weight179.55 g/mol
Exact Mass178.99
IUPAC Name5-[chloro(difluoro)methyl]-1H-pyridin-2-one
SMILESO=c1ccc(C(F)(F)Cl)c[nH]1
InChIInChI=1S/C6H4ClF2NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11)
InChIKeyIBVPOFNTUKAWDJ-UHFFFAOYSA-N
XLogP1.66
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.55
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 5-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The IUPAC name of 5-[chloro(difluoro)methyl]-1H-pyridin-2-one (CID 2315451) is 5-[chloro(difluoro)methyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[chloro(difluoro)methyl]-1H-pyridin-2-one is O=c1ccc(C(F)(F)Cl)c[nH]1.
What is the InChIKey of 5-[chloro(difluoro)methyl]-1H-pyridin-2-one?
The InChIKey is IBVPOFNTUKAWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF2NO/c7-6(8,9)4-1-2-5(11)10-3-4/h1-3H,(H,10,11).
What are the key properties of 5-[chloro(difluoro)methyl]-1H-pyridin-2-one?
5-[chloro(difluoro)methyl]-1H-pyridin-2-one has a molecular weight of 179.55 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[chloro(difluoro)methyl]-1H-pyridin-2-one is sourced from PubChem (CID 2315451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).