2,3,6-trifluoro-1H-pyridin-4-one

C5H2F3NO — CID 130898120

IUPAC2,3,6-trifluoro-1H-pyridin-4-one
SMILESO=c1cc(F)[nH]c(F)c1F
InChIInChI=1S/C5H2F3NO/c6-3-1-2(10)4(7)5(8)9-3/h1H,(H,9,10)
InChIKeyUZVWTTJBOKVTEX-UHFFFAOYSA-N
MW149.07 g/mol
LogP0.79
Rot. Bonds

About 2,3,6-trifluoro-1H-pyridin-4-one

2,3,6-trifluoro-1H-pyridin-4-one (PubChem CID 130898120) has the molecular formula C5H2F3NO and a molecular weight of 149.07 g/mol. Its IUPAC name is 2,3,6-trifluoro-1H-pyridin-4-one.

Molecular Properties

Compound Name2,3,6-trifluoro-1H-pyridin-4-one
PubChem CID130898120
Molecular FormulaC5H2F3NO
Molecular Weight149.07 g/mol
Exact Mass149.01
IUPAC Name2,3,6-trifluoro-1H-pyridin-4-one
SMILESO=c1cc(F)[nH]c(F)c1F
InChIInChI=1S/C5H2F3NO/c6-3-1-2(10)4(7)5(8)9-3/h1H,(H,9,10)
InChIKeyUZVWTTJBOKVTEX-UHFFFAOYSA-N
XLogP0.79
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.07
LogP ≤ 50.79
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 2,3,6-trifluoro-1H-pyridin-4-one?
The IUPAC name of 2,3,6-trifluoro-1H-pyridin-4-one (CID 130898120) is 2,3,6-trifluoro-1H-pyridin-4-one.
What is the SMILES notation for 2,3,6-trifluoro-1H-pyridin-4-one?
The canonical SMILES for 2,3,6-trifluoro-1H-pyridin-4-one is O=c1cc(F)[nH]c(F)c1F.
What is the InChIKey of 2,3,6-trifluoro-1H-pyridin-4-one?
The InChIKey is UZVWTTJBOKVTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3NO/c6-3-1-2(10)4(7)5(8)9-3/h1H,(H,9,10).
What are the key properties of 2,3,6-trifluoro-1H-pyridin-4-one?
2,3,6-trifluoro-1H-pyridin-4-one has a molecular weight of 149.07 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trifluoro-1H-pyridin-4-one is sourced from PubChem (CID 130898120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).