2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

C10H10BrF3N2O — CID 114329026

IUPAC2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10BrF3N2O/c1-9(2,11)8(17)16-6-3-4-7(15-5-6)10(12,13)14/h3-5H,1-2H3,(H,16,17)
InChIKeyOZMJJNYJBDLFEG-UHFFFAOYSA-N
MW311.10 g/mol
LogP3.21
Rot. Bonds2

About 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide

2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (PubChem CID 114329026) has the molecular formula C10H10BrF3N2O and a molecular weight of 311.10 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
PubChem CID114329026
Molecular FormulaC10H10BrF3N2O
Molecular Weight311.10 g/mol
Exact Mass309.99
IUPAC Name2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(C(F)(F)F)nc1
InChIInChI=1S/C10H10BrF3N2O/c1-9(2,11)8(17)16-6-3-4-7(15-5-6)10(12,13)14/h3-5H,1-2H3,(H,16,17)
InChIKeyOZMJJNYJBDLFEG-UHFFFAOYSA-N
XLogP3.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.10
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide 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 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide (CID 114329026) is 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is CC(C)(Br)C(=O)Nc1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
The InChIKey is OZMJJNYJBDLFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2O/c1-9(2,11)8(17)16-6-3-4-7(15-5-6)10(12,13)14/h3-5H,1-2H3,(H,16,17).
What are the key properties of 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide?
2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide has a molecular weight of 311.10 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[6-(trifluoromethyl)-3-pyridinyl]propanamide is sourced from PubChem (CID 114329026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).