4,6-difluoro-5-methyl-1H-pyridin-2-one

C6H5F2NO — CID 122544830

IUPAC4,6-difluoro-5-methyl-1H-pyridin-2-one
SMILESCc1c(F)cc(=O)[nH]c1F
InChIInChI=1S/C6H5F2NO/c1-3-4(7)2-5(10)9-6(3)8/h2H,1H3,(H,9,10)
InChIKeyOENVPPJVWCNQAP-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.96
Rot. Bonds

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

4,6-difluoro-5-methyl-1H-pyridin-2-one (PubChem CID 122544830) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 4,6-difluoro-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-difluoro-5-methyl-1H-pyridin-2-one
PubChem CID122544830
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name4,6-difluoro-5-methyl-1H-pyridin-2-one
SMILESCc1c(F)cc(=O)[nH]c1F
InChIInChI=1S/C6H5F2NO/c1-3-4(7)2-5(10)9-6(3)8/h2H,1H3,(H,9,10)
InChIKeyOENVPPJVWCNQAP-UHFFFAOYSA-N
XLogP0.96
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.96
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-5-methyl-1H-pyridin-2-one?
The IUPAC name of 4,6-difluoro-5-methyl-1H-pyridin-2-one (CID 122544830) is 4,6-difluoro-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4,6-difluoro-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 4,6-difluoro-5-methyl-1H-pyridin-2-one is Cc1c(F)cc(=O)[nH]c1F.
What is the InChIKey of 4,6-difluoro-5-methyl-1H-pyridin-2-one?
The InChIKey is OENVPPJVWCNQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c1-3-4(7)2-5(10)9-6(3)8/h2H,1H3,(H,9,10).
What are the key properties of 4,6-difluoro-5-methyl-1H-pyridin-2-one?
4,6-difluoro-5-methyl-1H-pyridin-2-one has a molecular weight of 145.11 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 122544830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).