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

C7H3F3N2O — CID 83402046

IUPAC6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)6-4(3-11)1-2-5(13)12-6/h1-2H,(H,12,13)
InChIKeySBJLQUOUAVVFOI-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.27
Rot. Bonds

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

6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 83402046) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID83402046
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)6-4(3-11)1-2-5(13)12-6/h1-2H,(H,12,13)
InChIKeySBJLQUOUAVVFOI-UHFFFAOYSA-N
XLogP1.27
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 83402046) is 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile is N#Cc1ccc(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is SBJLQUOUAVVFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-7(9,10)6-4(3-11)1-2-5(13)12-6/h1-2H,(H,12,13).
What are the key properties of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 83402046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).