2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

C13H5F7N2O2 — CID 134318670

IUPAC2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc[nH]c1=O
InChIInChI=1S/C13H5F7N2O2/c14-6-5(13(18,19)20)7(15)9(17)10(8(6)16)22-12(24)4-2-1-3-21-11(4)23/h1-3H,(H,21,23)(H,22,24)
InChIKeyVEQVUAPNNHHYBB-UHFFFAOYSA-N
MW354.18 g/mol
LogP3.20
Rot. Bonds2

About 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide

2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide (PubChem CID 134318670) has the molecular formula C13H5F7N2O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
PubChem CID134318670
Molecular FormulaC13H5F7N2O2
Molecular Weight354.18 g/mol
Exact Mass354.02
IUPAC Name2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide
SMILESO=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc[nH]c1=O
InChIInChI=1S/C13H5F7N2O2/c14-6-5(13(18,19)20)7(15)9(17)10(8(6)16)22-12(24)4-2-1-3-21-11(4)23/h1-3H,(H,21,23)(H,22,24)
InChIKeyVEQVUAPNNHHYBB-UHFFFAOYSA-N
XLogP3.20
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide (CID 134318670) is 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide is O=C(Nc1c(F)c(F)c(C(F)(F)F)c(F)c1F)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
The InChIKey is VEQVUAPNNHHYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5F7N2O2/c14-6-5(13(18,19)20)7(15)9(17)10(8(6)16)22-12(24)4-2-1-3-21-11(4)23/h1-3H,(H,21,23)(H,22,24).
What are the key properties of 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide?
2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide has a molecular weight of 354.18 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 134318670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).