4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile

C9H7F3N2O2 — CID 171437475

IUPAC4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile
SMILESCOc1ccn(CC(F)(F)F)c(=O)c1C#N
InChIInChI=1S/C9H7F3N2O2/c1-16-7-2-3-14(5-9(10,11)12)8(15)6(7)4-13/h2-3H,5H2,1H3
InChIKeyXSFAVIOLTLOQOL-UHFFFAOYSA-N
MW232.16 g/mol
LogP1.29
Rot. Bonds2

About 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile

4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile (PubChem CID 171437475) has the molecular formula C9H7F3N2O2 and a molecular weight of 232.16 g/mol. Its IUPAC name is 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile
PubChem CID171437475
Molecular FormulaC9H7F3N2O2
Molecular Weight232.16 g/mol
Exact Mass232.05
IUPAC Name4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile
SMILESCOc1ccn(CC(F)(F)F)c(=O)c1C#N
InChIInChI=1S/C9H7F3N2O2/c1-16-7-2-3-14(5-9(10,11)12)8(15)6(7)4-13/h2-3H,5H2,1H3
InChIKeyXSFAVIOLTLOQOL-UHFFFAOYSA-N
XLogP1.29
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile?
The IUPAC name of 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile (CID 171437475) is 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile is COc1ccn(CC(F)(F)F)c(=O)c1C#N.
What is the InChIKey of 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile?
The InChIKey is XSFAVIOLTLOQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O2/c1-16-7-2-3-14(5-9(10,11)12)8(15)6(7)4-13/h2-3H,5H2,1H3.
What are the key properties of 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile?
4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile has a molecular weight of 232.16 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-oxo-1-(2,2,2-trifluoroethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 171437475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).