3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile

C6H2F2N2O — CID 69170447

IUPAC3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(F)cc1F
InChIInChI=1S/C6H2F2N2O/c7-3-1-4(8)6(11)10-5(3)2-9/h1H,(H,10,11)
InChIKeyAMIWTTZLRXTYGL-UHFFFAOYSA-N
MW156.09 g/mol
LogP0.52
Rot. Bonds

About 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile

3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 69170447) has the molecular formula C6H2F2N2O and a molecular weight of 156.09 g/mol. Its IUPAC name is 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID69170447
Molecular FormulaC6H2F2N2O
Molecular Weight156.09 g/mol
Exact Mass156.01
IUPAC Name3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(F)cc1F
InChIInChI=1S/C6H2F2N2O/c7-3-1-4(8)6(11)10-5(3)2-9/h1H,(H,10,11)
InChIKeyAMIWTTZLRXTYGL-UHFFFAOYSA-N
XLogP0.52
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.09
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile (CID 69170447) is 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)c(F)cc1F.
What is the InChIKey of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is AMIWTTZLRXTYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F2N2O/c7-3-1-4(8)6(11)10-5(3)2-9/h1H,(H,10,11).
What are the key properties of 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile?
3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 156.09 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 69170447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).