N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide

C7H4BrF3N2O — CID 1204332

IUPACN-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H4BrF3N2O/c8-4-1-2-5(12-3-4)13-6(14)7(9,10)11/h1-3H,(H,12,13,14)
InChIKeyCXCKTGKKDFYHED-UHFFFAOYSA-N
MW269.02 g/mol
LogP2.34
Rot. Bonds1

About N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide

N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 1204332) has the molecular formula C7H4BrF3N2O and a molecular weight of 269.02 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID1204332
Molecular FormulaC7H4BrF3N2O
Molecular Weight269.02 g/mol
Exact Mass267.95
IUPAC NameN-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H4BrF3N2O/c8-4-1-2-5(12-3-4)13-6(14)7(9,10)11/h1-3H,(H,12,13,14)
InChIKeyCXCKTGKKDFYHED-UHFFFAOYSA-N
XLogP2.34
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide 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 N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide (CID 1204332) is N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Br)cn1)C(F)(F)F.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is CXCKTGKKDFYHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O/c8-4-1-2-5(12-3-4)13-6(14)7(9,10)11/h1-3H,(H,12,13,14).
What are the key properties of N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide has a molecular weight of 269.02 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 1204332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).