4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one

C7H7F2NO — CID 122544858

IUPAC4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one
SMILESCc1c(F)[nH]c(=O)c(C)c1F
InChIInChI=1S/C7H7F2NO/c1-3-5(8)4(2)7(11)10-6(3)9/h1-2H3,(H,10,11)
InChIKeyZTHYYOJHPLGYOP-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.27
Rot. Bonds

About 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one

4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one (PubChem CID 122544858) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one
PubChem CID122544858
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one
SMILESCc1c(F)[nH]c(=O)c(C)c1F
InChIInChI=1S/C7H7F2NO/c1-3-5(8)4(2)7(11)10-6(3)9/h1-2H3,(H,10,11)
InChIKeyZTHYYOJHPLGYOP-UHFFFAOYSA-N
XLogP1.27
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.27
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 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one (CID 122544858) is 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one is Cc1c(F)[nH]c(=O)c(C)c1F.
What is the InChIKey of 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one?
The InChIKey is ZTHYYOJHPLGYOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-3-5(8)4(2)7(11)10-6(3)9/h1-2H3,(H,10,11).
What are the key properties of 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one?
4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one has a molecular weight of 159.13 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 122544858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).