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

C7H3F3N2O2 — CID 2782644

IUPAC2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14)
InChIKeyJRLZWXISQMMITA-UHFFFAOYSA-N
MW204.11 g/mol
LogP0.97
Rot. Bonds

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

2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 2782644) has the molecular formula C7H3F3N2O2 and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID2782644
Molecular FormulaC7H3F3N2O2
Molecular Weight204.11 g/mol
Exact Mass204.01
IUPAC Name2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(=O)[nH]c1O
InChIInChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14)
InChIKeyJRLZWXISQMMITA-UHFFFAOYSA-N
XLogP0.97
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 2782644) is 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(=O)[nH]c1O.
What is the InChIKey of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is JRLZWXISQMMITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O2/c8-7(9,10)4-1-5(13)12-6(14)3(4)2-11/h1H,(H2,12,13,14).
What are the key properties of 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 204.11 g/mol, XLogP of 0.97, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 2782644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).