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

C10H7F3N2O2 — CID 70269886

IUPAC2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H7F3N2O2/c1-2-3-15-8(16)4-7(10(11,12)13)6(5-14)9(15)17/h2,4,17H,1,3H2
InChIKeyTVBORIYOVFIFSW-UHFFFAOYSA-N
MW244.17 g/mol
LogP1.63
Rot. Bonds2

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

2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 70269886) has the molecular formula C10H7F3N2O2 and a molecular weight of 244.17 g/mol. Its IUPAC name is 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID70269886
Molecular FormulaC10H7F3N2O2
Molecular Weight244.17 g/mol
Exact Mass244.05
IUPAC Name2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESC=CCn1c(O)c(C#N)c(C(F)(F)F)cc1=O
InChIInChI=1S/C10H7F3N2O2/c1-2-3-15-8(16)4-7(10(11,12)13)6(5-14)9(15)17/h2,4,17H,1,3H2
InChIKeyTVBORIYOVFIFSW-UHFFFAOYSA-N
XLogP1.63
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 70269886) is 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile is C=CCn1c(O)c(C#N)c(C(F)(F)F)cc1=O.
What is the InChIKey of 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is TVBORIYOVFIFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O2/c1-2-3-15-8(16)4-7(10(11,12)13)6(5-14)9(15)17/h2,4,17H,1,3H2.
What are the key properties of 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile?
2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 244.17 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-oxo-1-prop-2-enyl-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 70269886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).