3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile

C11H5F3N2O2S — CID 22572637

IUPAC3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)s2)c1O
InChIInChI=1S/C11H5F3N2O2S/c12-11(13,14)7-2-1-6(19-7)9-10(18)5(4-15)3-8(17)16-9/h1-3,18H,(H,16,17)
InChIKeyHBAIRMGLFOXKQE-UHFFFAOYSA-N
MW286.23 g/mol
LogP2.70
Rot. Bonds1

About 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile

3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile (PubChem CID 22572637) has the molecular formula C11H5F3N2O2S and a molecular weight of 286.23 g/mol. Its IUPAC name is 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile
PubChem CID22572637
Molecular FormulaC11H5F3N2O2S
Molecular Weight286.23 g/mol
Exact Mass286.00
IUPAC Name3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)s2)c1O
InChIInChI=1S/C11H5F3N2O2S/c12-11(13,14)7-2-1-6(19-7)9-10(18)5(4-15)3-8(17)16-9/h1-3,18H,(H,16,17)
InChIKeyHBAIRMGLFOXKQE-UHFFFAOYSA-N
XLogP2.70
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.23
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Oxo-6-(thiophen-2-yl)-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 698147
5-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]thiophene-2-carbonitrile
CID 106516099
3-Cyano-2-oxo-6-(thiophen-2-yl)-1,2-dihydropyridine-4-carboxylic acid
CID 121210134

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile?
The IUPAC name of 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile (CID 22572637) is 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile?
The canonical SMILES for 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile is N#Cc1cc(=O)[nH]c(-c2ccc(C(F)(F)F)s2)c1O.
What is the InChIKey of 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile?
The InChIKey is HBAIRMGLFOXKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2O2S/c12-11(13,14)7-2-1-6(19-7)9-10(18)5(4-15)3-8(17)16-9/h1-3,18H,(H,16,17).
What are the key properties of 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile?
3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile has a molecular weight of 286.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-oxo-2-[5-(trifluoromethyl)thiophen-2-yl]-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 22572637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).