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

C8H2F6N2O — CID 53256590

IUPAC2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H2F6N2O/c9-7(10,11)4-1-5(8(12,13)14)16-6(17)3(4)2-15/h1H,(H,16,17)
InChIKeyDGJXLZTURIWFSZ-UHFFFAOYSA-N
MW256.11 g/mol
LogP2.28
Rot. Bonds

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

2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 53256590) has the molecular formula C8H2F6N2O and a molecular weight of 256.11 g/mol. Its IUPAC name is 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID53256590
Molecular FormulaC8H2F6N2O
Molecular Weight256.11 g/mol
Exact Mass256.01
IUPAC Name2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C8H2F6N2O/c9-7(10,11)4-1-5(8(12,13)14)16-6(17)3(4)2-15/h1H,(H,16,17)
InChIKeyDGJXLZTURIWFSZ-UHFFFAOYSA-N
XLogP2.28
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.11
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 53256590) is 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is DGJXLZTURIWFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6N2O/c9-7(10,11)4-1-5(8(12,13)14)16-6(17)3(4)2-15/h1H,(H,16,17).
What are the key properties of 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile?
2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 256.11 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-4,6-bis(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 53256590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).