5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile

C8H6F3N3O — CID 131511811

IUPAC5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCn1c(C#N)c(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C8H6F3N3O/c1-14-6(3-12)4(8(9,10)11)2-5(13)7(14)15/h2H,13H2,1H3
InChIKeyOVZUBDTUGWEMLH-UHFFFAOYSA-N
MW217.15 g/mol
LogP0.86
Rot. Bonds

About 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile

5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 131511811) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID131511811
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile
SMILESCn1c(C#N)c(C(F)(F)F)cc(N)c1=O
InChIInChI=1S/C8H6F3N3O/c1-14-6(3-12)4(8(9,10)11)2-5(13)7(14)15/h2H,13H2,1H3
InChIKeyOVZUBDTUGWEMLH-UHFFFAOYSA-N
XLogP0.86
TPSA71.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile (CID 131511811) is 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile is Cn1c(C#N)c(C(F)(F)F)cc(N)c1=O.
What is the InChIKey of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is OVZUBDTUGWEMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-14-6(3-12)4(8(9,10)11)2-5(13)7(14)15/h2H,13H2,1H3.
What are the key properties of 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile?
5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 217.15 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 131511811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).