5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide

C8H7BrF2N2O2 — CID 165416861

IUPAC5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)cn(CC(F)F)c1=O
InChIInChI=1S/C8H7BrF2N2O2/c9-4-1-5(7(12)14)8(15)13(2-4)3-6(10)11/h1-2,6H,3H2,(H2,12,14)
InChIKeyTVOUUXRNZXZURX-UHFFFAOYSA-N
MW281.06 g/mol
LogP0.97
Rot. Bonds3

About 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide

5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide (PubChem CID 165416861) has the molecular formula C8H7BrF2N2O2 and a molecular weight of 281.06 g/mol. Its IUPAC name is 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide
PubChem CID165416861
Molecular FormulaC8H7BrF2N2O2
Molecular Weight281.06 g/mol
Exact Mass279.97
IUPAC Name5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide
SMILESNC(=O)c1cc(Br)cn(CC(F)F)c1=O
InChIInChI=1S/C8H7BrF2N2O2/c9-4-1-5(7(12)14)8(15)13(2-4)3-6(10)11/h1-2,6H,3H2,(H2,12,14)
InChIKeyTVOUUXRNZXZURX-UHFFFAOYSA-N
XLogP0.97
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.06
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide (CID 165416861) is 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide is NC(=O)c1cc(Br)cn(CC(F)F)c1=O.
What is the InChIKey of 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide?
The InChIKey is TVOUUXRNZXZURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O2/c9-4-1-5(7(12)14)8(15)13(2-4)3-6(10)11/h1-2,6H,3H2,(H2,12,14).
What are the key properties of 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide?
5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide has a molecular weight of 281.06 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,2-difluoroethyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 165416861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).