2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone

C7H5F3N2O3 — CID 171098992

IUPAC2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone
SMILESO=C(c1cnc(C(F)(F)F)cn1)C(O)O
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)4-2-11-3(1-12-4)5(13)6(14)15/h1-2,6,14-15H
InChIKeyKNQFSDYZYCVGTJ-UHFFFAOYSA-N
MW222.12 g/mol
LogP-0.01
Rot. Bonds2

About 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone

2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone (PubChem CID 171098992) has the molecular formula C7H5F3N2O3 and a molecular weight of 222.12 g/mol. Its IUPAC name is 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone.

Molecular Properties

Compound Name2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone
PubChem CID171098992
Molecular FormulaC7H5F3N2O3
Molecular Weight222.12 g/mol
Exact Mass222.03
IUPAC Name2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone
SMILESO=C(c1cnc(C(F)(F)F)cn1)C(O)O
InChIInChI=1S/C7H5F3N2O3/c8-7(9,10)4-2-11-3(1-12-4)5(13)6(14)15/h1-2,6,14-15H
InChIKeyKNQFSDYZYCVGTJ-UHFFFAOYSA-N
XLogP-0.01
TPSA83.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.12
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1,1-difluoro-2,2-dihydroxyethyl)pyrazine-2-carboxylic acid
CID 123952424
2-bromo-2-[5-(trifluoromethyl)pyrazin-2-yl]propanoic acid
CID 121348147
2-methyl-1-[6-(trifluoromethyl)-3-pyridinyl]propan-1-one
CID 59943629
[5-(trifluoromethyl)pyrazin-2-yl]boronic acid
CID 119086011
bis[6-(trifluoromethyl)-3-pyridinyl]methanone
CID 87948655
2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
CID 133094666
2,3-dihydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 170824360
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
3-oxo-3-[5-(trifluoromethyl)pyrazin-2-yl]oxypropanoic acid
CID 126666663
(2R)-2-hydroxy-3-[6-(trifluoromethyl)-3-pyridinyl]propanoic acid
CID 122703513
2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
CID 82706557
1-[5-(trifluoromethyl)pyrazin-2-yl]ethanethiol
CID 134474838

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone?
The IUPAC name of 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone (CID 171098992) is 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone.
What is the SMILES notation for 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone?
The canonical SMILES for 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone is O=C(c1cnc(C(F)(F)F)cn1)C(O)O.
What is the InChIKey of 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone?
The InChIKey is KNQFSDYZYCVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O3/c8-7(9,10)4-2-11-3(1-12-4)5(13)6(14)15/h1-2,6,14-15H.
What are the key properties of 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone?
2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone has a molecular weight of 222.12 g/mol, XLogP of -0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxy-1-[5-(trifluoromethyl)pyrazin-2-yl]ethanone is sourced from PubChem (CID 171098992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).