5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile

C7H3F3N2O3 — CID 131614321

IUPAC5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(O)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H3F3N2O3/c8-7(9,10)15-5-3(1-11)4(13)2-12-6(5)14/h2,13H,(H,12,14)
InChIKeyZCEQSRIROZISEF-UHFFFAOYSA-N
MW220.11 g/mol
LogP0.85
Rot. Bonds1

About 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile

5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (PubChem CID 131614321) has the molecular formula C7H3F3N2O3 and a molecular weight of 220.11 g/mol. Its IUPAC name is 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
PubChem CID131614321
Molecular FormulaC7H3F3N2O3
Molecular Weight220.11 g/mol
Exact Mass220.01
IUPAC Name5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(O)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C7H3F3N2O3/c8-7(9,10)15-5-3(1-11)4(13)2-12-6(5)14/h2,13H,(H,12,14)
InChIKeyZCEQSRIROZISEF-UHFFFAOYSA-N
XLogP0.85
TPSA86.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dibromo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 130093616
2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134665312
5-amino-4-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 133086208
4-amino-5-(difluoromethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118817785
5-fluoro-3-iodo-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 131115667
2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 134663224
methyl 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659856
5-(bromomethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 134666729
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131282215
4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111918
5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-sulfonyl chloride
CID 131305685
4-(bromomethyl)-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134680867

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The IUPAC name of 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (CID 131614321) is 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The canonical SMILES for 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is N#Cc1c(O)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The InChIKey is ZCEQSRIROZISEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O3/c8-7(9,10)15-5-3(1-11)4(13)2-12-6(5)14/h2,13H,(H,12,14).
What are the key properties of 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile has a molecular weight of 220.11 g/mol, XLogP of 0.85, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 131614321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).