boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

C6H7BF3NO6 — CID 158407453

IUPACboric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(O)c1O.OB(O)O
InChIInChI=1S/C6H4F3NO3.BH3O3/c7-6(8,9)2-1-10-5(13)4(12)3(2)11;2-1(3)4/h1,12H,(H2,10,11,13);2-4H
InChIKeyGYWMBZDDXLGLDH-UHFFFAOYSA-N
MW256.93 g/mol
LogP-1.25
Rot. Bonds

About boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one

boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 158407453) has the molecular formula C6H7BF3NO6 and a molecular weight of 256.93 g/mol. Its IUPAC name is boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Nameboric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID158407453
Molecular FormulaC6H7BF3NO6
Molecular Weight256.93 g/mol
Exact Mass257.03
IUPAC Nameboric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C(F)(F)F)c(O)c1O.OB(O)O
InChIInChI=1S/C6H4F3NO3.BH3O3/c7-6(8,9)2-1-10-5(13)4(12)3(2)11;2-1(3)4/h1,12H,(H2,10,11,13);2-4H
InChIKeyGYWMBZDDXLGLDH-UHFFFAOYSA-N
XLogP-1.25
TPSA134.01 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.93
LogP ≤ 5-1.25
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one 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

2,3-Dihydroxy-5-(trifluoromethyl)pyridine
CID 66872287
3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one
CID 144476432
2,4-Dihydroxy-5-(trifluoromethyl)pyridine
CID 118704240
4-(Difluoromethyl)-5-fluoropyridine-2,3-diol
CID 118800597
4-(Difluoromethyl)-5-methylpyridine-2,3-diol
CID 118806228
4-(Aminomethyl)-5-(difluoromethyl)pyridine-2,3-diol
CID 118812905
4-(Difluoromethyl)pyridine-2,3,5-triol
CID 118829470
4-(Difluoromethyl)-5-(hydroxymethyl)pyridine-2,3-diol
CID 118840787
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
5-(Difluoromethyl)pyridine-2,3-diol
CID 130094525
5-(difluoromethyl)-4-fluoro-3-hydroxy-1H-pyridin-2-one
CID 130100034
5-(difluoromethyl)-3-fluoro-4-hydroxy-1H-pyridin-2-one
CID 130100040

Frequently Asked Questions

What is the IUPAC name of boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one (CID 158407453) is boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is O=c1[nH]cc(C(F)(F)F)c(O)c1O.OB(O)O.
What is the InChIKey of boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is GYWMBZDDXLGLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3.BH3O3/c7-6(8,9)2-1-10-5(13)4(12)3(2)11;2-1(3)4/h1,12H,(H2,10,11,13);2-4H.
What are the key properties of boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one?
boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 256.93 g/mol, XLogP of -1.25, 0 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for boric acid;3,4-dihydroxy-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 158407453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).