6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

C8H5F3N2O2 — CID 155482654

IUPAC6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1c(O)[nH]c(=O)c(C#N)c1C(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c1-3-5(8(9,10)11)4(2-12)7(15)13-6(3)14/h1H3,(H2,13,14,15)
InChIKeyGXMBKCFDZMJOAI-UHFFFAOYSA-N
MW218.13 g/mol
LogP1.28
Rot. Bonds

About 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 155482654) has the molecular formula C8H5F3N2O2 and a molecular weight of 218.13 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID155482654
Molecular FormulaC8H5F3N2O2
Molecular Weight218.13 g/mol
Exact Mass218.03
IUPAC Name6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1c(O)[nH]c(=O)c(C#N)c1C(F)(F)F
InChIInChI=1S/C8H5F3N2O2/c1-3-5(8(9,10)11)4(2-12)7(15)13-6(3)14/h1H3,(H2,13,14,15)
InChIKeyGXMBKCFDZMJOAI-UHFFFAOYSA-N
XLogP1.28
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 155482654) is 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is Cc1c(O)[nH]c(=O)c(C#N)c1C(F)(F)F.
What is the InChIKey of 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is GXMBKCFDZMJOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O2/c1-3-5(8(9,10)11)4(2-12)7(15)13-6(3)14/h1H3,(H2,13,14,15).
What are the key properties of 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 218.13 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 155482654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).