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

C7H5F3N2O2 — CID 2775114

IUPAC2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
InChIKeyBZMWJLRKOIRLSU-UHFFFAOYSA-N
MW206.12 g/mol
LogP0.49
Rot. Bonds1

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

2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 2775114) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID2775114
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESNC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14)
InChIKeyBZMWJLRKOIRLSU-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 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 2775114) is 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BZMWJLRKOIRLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(5(11)13)6(14)12-4/h1-2H,(H2,11,13)(H,12,14).
What are the key properties of 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-6-(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 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 2775114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).