N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide

C7H4BrF3N2O — CID 57423845

IUPACN-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(Br)n1)C(F)(F)F
InChIInChI=1S/C7H4BrF3N2O/c8-4-2-1-3-5(12-4)13-6(14)7(9,10)11/h1-3H,(H,12,13,14)
InChIKeyLHOJGOSLWPYNLU-UHFFFAOYSA-N
MW269.02 g/mol
LogP2.34
Rot. Bonds1

About N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide

N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 57423845) has the molecular formula C7H4BrF3N2O and a molecular weight of 269.02 g/mol. Its IUPAC name is N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID57423845
Molecular FormulaC7H4BrF3N2O
Molecular Weight269.02 g/mol
Exact Mass267.95
IUPAC NameN-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cccc(Br)n1)C(F)(F)F
InChIInChI=1S/C7H4BrF3N2O/c8-4-2-1-3-5(12-4)13-6(14)7(9,10)11/h1-3H,(H,12,13,14)
InChIKeyLHOJGOSLWPYNLU-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide (CID 57423845) is N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide is O=C(Nc1cccc(Br)n1)C(F)(F)F.
What is the InChIKey of N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is LHOJGOSLWPYNLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O/c8-4-2-1-3-5(12-4)13-6(14)7(9,10)11/h1-3H,(H,12,13,14).
What are the key properties of N-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide?
N-(6-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-(6-bromo-2-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 57423845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).