N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide

C8H6BrF3N2O — CID 170943583

IUPACN-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(CBr)cn1)C(F)(F)F
InChIInChI=1S/C8H6BrF3N2O/c9-3-5-1-2-6(13-4-5)14-7(15)8(10,11)12/h1-2,4H,3H2,(H,13,14,15)
InChIKeyDLNFKIMRHAKRCY-UHFFFAOYSA-N
MW283.05 g/mol
LogP2.48
Rot. Bonds2

About N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide

N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide (PubChem CID 170943583) has the molecular formula C8H6BrF3N2O and a molecular weight of 283.05 g/mol. Its IUPAC name is N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide
PubChem CID170943583
Molecular FormulaC8H6BrF3N2O
Molecular Weight283.05 g/mol
Exact Mass281.96
IUPAC NameN-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(CBr)cn1)C(F)(F)F
InChIInChI=1S/C8H6BrF3N2O/c9-3-5-1-2-6(13-4-5)14-7(15)8(10,11)12/h1-2,4H,3H2,(H,13,14,15)
InChIKeyDLNFKIMRHAKRCY-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[5-(bromomethyl)-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

Related Compounds

[5-(2-bromoethyl)-2-pyridinyl]carbamic acid
CID 174508330
5-(bromomethyl)-N-cyclohexylpyridin-2-amine
CID 139898305
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-2-oxo-2-[2-(2,2,2-trifluoroacetyl)hydrazinyl]acetamide
CID 139521647
2,2,2-trifluoro-N-[4-[[4-[(2,2,2-trifluoroacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 3688505
5-(bromomethyl)-2-(1,1-difluoroethyl)pyridine
CID 59218632
2-(4-bromophenyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 29260244
2,2,2-trifluoro-N'-(5-iodo-2-pyridinyl)acetohydrazide
CID 21071710
2,2,2-trifluoro-N-(4-methyl-2-pyridinyl)acetamide
CID 3568056
N-[4-(chloromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 117275285
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
N-[5-(hydroxymethyl)-2-pyridinyl]-2-methylpropanamide
CID 82343659
5-(bromomethyl)-2-fluoropyridine;hydrobromide
CID 121231867

Frequently Asked Questions

What is the IUPAC name of N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide (CID 170943583) is N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide is O=C(Nc1ccc(CBr)cn1)C(F)(F)F.
What is the InChIKey of N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide?
The InChIKey is DLNFKIMRHAKRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O/c9-3-5-1-2-6(13-4-5)14-7(15)8(10,11)12/h1-2,4H,3H2,(H,13,14,15).
What are the key properties of N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide?
N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide has a molecular weight of 283.05 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(bromomethyl)-2-pyridinyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 170943583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).