4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

C8H7F3N2O2 — CID 103337060

IUPAC4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-3-12-2-1-6(5)14/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyBKNVBJQQIPJMAE-UHFFFAOYSA-N
MW220.15 g/mol
LogP0.67
Rot. Bonds2

About 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide

4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (PubChem CID 103337060) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
PubChem CID103337060
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCC(F)(F)F)c1c[nH]ccc1=O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-3-12-2-1-6(5)14/h1-3H,4H2,(H,12,14)(H,13,15)
InChIKeyBKNVBJQQIPJMAE-UHFFFAOYSA-N
XLogP0.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide (CID 103337060) is 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is O=C(NCC(F)(F)F)c1c[nH]ccc1=O.
What is the InChIKey of 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
The InChIKey is BKNVBJQQIPJMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)4-13-7(15)5-3-12-2-1-6(5)14/h1-3H,4H2,(H,12,14)(H,13,15).
What are the key properties of 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide?
4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide has a molecular weight of 220.15 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).