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

C7H5F3N2O2 — CID 130953535

IUPAC6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-3(6(11)14)1-2-4(13)12-5/h1-2H,(H2,11,14)(H,12,13)
InChIKeyKNTOUCVKHAYJNJ-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.49
Rot. Bonds1

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

6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 130953535) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID130953535
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(=O)[nH]c1C(F)(F)F
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)5-3(6(11)14)1-2-4(13)12-5/h1-2H,(H2,11,14)(H,12,13)
InChIKeyKNTOUCVKHAYJNJ-UHFFFAOYSA-N
XLogP0.49
TPSA75.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 130953535) is 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1ccc(=O)[nH]c1C(F)(F)F.
What is the InChIKey of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is KNTOUCVKHAYJNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)5-3(6(11)14)1-2-4(13)12-5/h1-2H,(H2,11,14)(H,12,13).
What are the key properties of 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide?
6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 206.12 g/mol, XLogP of 0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-2-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 130953535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).