N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide

C8H6BrF3N2O — CID 67394125

IUPACN-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF3N2O/c1-4(15)14-7-6(8(10,11)12)2-5(9)3-13-7/h2-3H,1H3,(H,13,14,15)
InChIKeyBJFRUAUAGFKZGL-UHFFFAOYSA-N
MW283.05 g/mol
LogP2.82
Rot. Bonds1

About N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide

N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide (PubChem CID 67394125) has the molecular formula C8H6BrF3N2O and a molecular weight of 283.05 g/mol. Its IUPAC name is N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide
PubChem CID67394125
Molecular FormulaC8H6BrF3N2O
Molecular Weight283.05 g/mol
Exact Mass281.96
IUPAC NameN-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(Br)cc1C(F)(F)F
InChIInChI=1S/C8H6BrF3N2O/c1-4(15)14-7-6(8(10,11)12)2-5(9)3-13-7/h2-3H,1H3,(H,13,14,15)
InChIKeyBJFRUAUAGFKZGL-UHFFFAOYSA-N
XLogP2.82
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.05
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide?
The IUPAC name of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide (CID 67394125) is N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide is CC(=O)Nc1ncc(Br)cc1C(F)(F)F.
What is the InChIKey of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide?
The InChIKey is BJFRUAUAGFKZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O/c1-4(15)14-7-6(8(10,11)12)2-5(9)3-13-7/h2-3H,1H3,(H,13,14,15).
What are the key properties of N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide?
N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide has a molecular weight of 283.05 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 67394125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).