1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide

C7H5F3N2O2 — CID 118533417

IUPAC1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(F)c(F)c(C(N)=O)c(=O)n1F
InChIInChI=1S/C7H5F3N2O2/c1-2-4(8)5(9)3(6(11)13)7(14)12(2)10/h1H3,(H2,11,13)
InChIKeyBPWDCVRORFUULX-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.27
Rot. Bonds1

About 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide

1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide (PubChem CID 118533417) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide
PubChem CID118533417
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide
SMILESCc1c(F)c(F)c(C(N)=O)c(=O)n1F
InChIInChI=1S/C7H5F3N2O2/c1-2-4(8)5(9)3(6(11)13)7(14)12(2)10/h1H3,(H2,11,13)
InChIKeyBPWDCVRORFUULX-UHFFFAOYSA-N
XLogP0.27
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-6-(trifluoromethyl)nicotinamide
CID 2775114
2-(Difluoromethyl)-3-fluoro-6-hydroxypyridine-5-carboxamide
CID 118826252
5-amino-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 130105136

Frequently Asked Questions

What is the IUPAC name of 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide (CID 118533417) is 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide is Cc1c(F)c(F)c(C(N)=O)c(=O)n1F.
What is the InChIKey of 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is BPWDCVRORFUULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c1-2-4(8)5(9)3(6(11)13)7(14)12(2)10/h1H3,(H2,11,13).
What are the key properties of 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide?
1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 206.12 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,5-trifluoro-6-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 118533417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).