1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide

C8H7F3N2O2 — CID 137376349

IUPAC1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1cc(C(N)=O)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H7F3N2O2/c1-13-3-4(7(12)15)5(2-6(13)14)8(9,10)11/h2-3H,1H3,(H2,12,15)
InChIKeyACRXBTPZOVERNW-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.50
Rot. Bonds1

About 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide

1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 137376349) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID137376349
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide
SMILESCn1cc(C(N)=O)c(C(F)(F)F)cc1=O
InChIInChI=1S/C8H7F3N2O2/c1-13-3-4(7(12)15)5(2-6(13)14)8(9,10)11/h2-3H,1H3,(H2,12,15)
InChIKeyACRXBTPZOVERNW-UHFFFAOYSA-N
XLogP0.50
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide (CID 137376349) is 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is Cn1cc(C(N)=O)c(C(F)(F)F)cc1=O.
What is the InChIKey of 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is ACRXBTPZOVERNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c1-13-3-4(7(12)15)5(2-6(13)14)8(9,10)11/h2-3H,1H3,(H2,12,15).
What are the key properties of 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide?
1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-4-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 137376349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).