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

C9H13F2NO — CID 144823805

IUPAC4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1c(F)[nH]c(=O)c(C)c1F
InChIInChI=1S/C7H7F2NO.C2H6/c1-3-5(8)4(2)7(11)10-6(3)9;1-2/h1-2H3,(H,10,11);1-2H3
InChIKeyKCAZGUUCJFUJKG-UHFFFAOYSA-N
MW189.20 g/mol
LogP2.30
Rot. Bonds

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

4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane (PubChem CID 144823805) has the molecular formula C9H13F2NO and a molecular weight of 189.20 g/mol. Its IUPAC name is 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane
PubChem CID144823805
Molecular FormulaC9H13F2NO
Molecular Weight189.20 g/mol
Exact Mass189.10
IUPAC Name4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1c(F)[nH]c(=O)c(C)c1F
InChIInChI=1S/C7H7F2NO.C2H6/c1-3-5(8)4(2)7(11)10-6(3)9;1-2/h1-2H3,(H,10,11);1-2H3
InChIKeyKCAZGUUCJFUJKG-UHFFFAOYSA-N
XLogP2.30
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.20
LogP ≤ 52.30
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;ethane?
The IUPAC name of 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane (CID 144823805) is 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane.
What is the SMILES notation for 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane?
The canonical SMILES for 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane is CC.Cc1c(F)[nH]c(=O)c(C)c1F.
What is the InChIKey of 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane?
The InChIKey is KCAZGUUCJFUJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO.C2H6/c1-3-5(8)4(2)7(11)10-6(3)9;1-2/h1-2H3,(H,10,11);1-2H3.
What are the key properties of 4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane?
4,6-difluoro-3,5-dimethyl-1H-pyridin-2-one;ethane has a molecular weight of 189.20 g/mol, XLogP of 2.30, 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;ethane is sourced from PubChem (CID 144823805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).