5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C10H8BrF3N2O2 — CID 59828233

IUPAC5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc(Br)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8BrF3N2O2/c1-2-3-15-8(17)5-4-6(11)7(10(12,13)14)16-9(5)18/h2,4H,1,3H2,(H,15,17)(H,16,18)
InChIKeyFOXVUGZULJFXSZ-UHFFFAOYSA-N
MW325.08 g/mol
LogP2.07
Rot. Bonds3

About 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 59828233) has the molecular formula C10H8BrF3N2O2 and a molecular weight of 325.08 g/mol. Its IUPAC name is 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID59828233
Molecular FormulaC10H8BrF3N2O2
Molecular Weight325.08 g/mol
Exact Mass323.97
IUPAC Name5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC=CCNC(=O)c1cc(Br)c(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C10H8BrF3N2O2/c1-2-3-15-8(17)5-4-6(11)7(10(12,13)14)16-9(5)18/h2,4H,1,3H2,(H,15,17)(H,16,18)
InChIKeyFOXVUGZULJFXSZ-UHFFFAOYSA-N
XLogP2.07
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.08
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 59828233) is 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C=CCNC(=O)c1cc(Br)c(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is FOXVUGZULJFXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF3N2O2/c1-2-3-15-8(17)5-4-6(11)7(10(12,13)14)16-9(5)18/h2,4H,1,3H2,(H,15,17)(H,16,18).
What are the key properties of 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 325.08 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-oxo-N-prop-2-enyl-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 59828233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).