3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile

C8H6F2N2O — CID 91217060

IUPAC3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(CF)cc1CF
InChIInChI=1S/C8H6F2N2O/c9-2-5-1-6(3-10)8(13)12-7(5)4-11/h1H,2-3H2,(H,12,13)
InChIKeyHZKAFAAEDFDEGW-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.19
Rot. Bonds2

About 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile

3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 91217060) has the molecular formula C8H6F2N2O and a molecular weight of 184.14 g/mol. Its IUPAC name is 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID91217060
Molecular FormulaC8H6F2N2O
Molecular Weight184.14 g/mol
Exact Mass184.04
IUPAC Name3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)c(CF)cc1CF
InChIInChI=1S/C8H6F2N2O/c9-2-5-1-6(3-10)8(13)12-7(5)4-11/h1H,2-3H2,(H,12,13)
InChIKeyHZKAFAAEDFDEGW-UHFFFAOYSA-N
XLogP1.19
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile (CID 91217060) is 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)c(CF)cc1CF.
What is the InChIKey of 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is HZKAFAAEDFDEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-2-5-1-6(3-10)8(13)12-7(5)4-11/h1H,2-3H2,(H,12,13).
What are the key properties of 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile?
3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 184.14 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(fluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 91217060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).