6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one

C6H3F4NO3 — CID 130925998

IUPAC6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(F)c(OC(F)(F)F)cc1O
InChIInChI=1S/C6H3F4NO3/c7-4-3(14-6(8,9)10)1-2(12)5(13)11-4/h1,12H,(H,11,13)
InChIKeyQPZCNVIWEMOVKV-UHFFFAOYSA-N
MW213.09 g/mol
LogP1.12
Rot. Bonds1

About 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one

6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 130925998) has the molecular formula C6H3F4NO3 and a molecular weight of 213.09 g/mol. Its IUPAC name is 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID130925998
Molecular FormulaC6H3F4NO3
Molecular Weight213.09 g/mol
Exact Mass213.00
IUPAC Name6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=c1[nH]c(F)c(OC(F)(F)F)cc1O
InChIInChI=1S/C6H3F4NO3/c7-4-3(14-6(8,9)10)1-2(12)5(13)11-4/h1,12H,(H,11,13)
InChIKeyQPZCNVIWEMOVKV-UHFFFAOYSA-N
XLogP1.12
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.09
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 130925998) is 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one is O=c1[nH]c(F)c(OC(F)(F)F)cc1O.
What is the InChIKey of 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is QPZCNVIWEMOVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F4NO3/c7-4-3(14-6(8,9)10)1-2(12)5(13)11-4/h1,12H,(H,11,13).
What are the key properties of 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one?
6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 213.09 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-hydroxy-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 130925998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).