2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide

C8H7BrF2N2O — CID 167511881

IUPAC2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide
SMILESCNC(=O)C(F)(F)c1cccc(Br)n1
InChIInChI=1S/C8H7BrF2N2O/c1-12-7(14)8(10,11)5-3-2-4-6(9)13-5/h2-4H,1H3,(H,12,14)
InChIKeyFXQCXCZRANEPLD-UHFFFAOYSA-N
MW265.06 g/mol
LogP1.68
Rot. Bonds2

About 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide

2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide (PubChem CID 167511881) has the molecular formula C8H7BrF2N2O and a molecular weight of 265.06 g/mol. Its IUPAC name is 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide.

Molecular Properties

Compound Name2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide
PubChem CID167511881
Molecular FormulaC8H7BrF2N2O
Molecular Weight265.06 g/mol
Exact Mass263.97
IUPAC Name2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide
SMILESCNC(=O)C(F)(F)c1cccc(Br)n1
InChIInChI=1S/C8H7BrF2N2O/c1-12-7(14)8(10,11)5-3-2-4-6(9)13-5/h2-4H,1H3,(H,12,14)
InChIKeyFXQCXCZRANEPLD-UHFFFAOYSA-N
XLogP1.68
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.06
LogP ≤ 51.68
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 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide?
The IUPAC name of 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide (CID 167511881) is 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide.
What is the SMILES notation for 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide?
The canonical SMILES for 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide is CNC(=O)C(F)(F)c1cccc(Br)n1.
What is the InChIKey of 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide?
The InChIKey is FXQCXCZRANEPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF2N2O/c1-12-7(14)8(10,11)5-3-2-4-6(9)13-5/h2-4H,1H3,(H,12,14).
What are the key properties of 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide?
2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide has a molecular weight of 265.06 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-pyridinyl)-2,2-difluoro-N-methylacetamide is sourced from PubChem (CID 167511881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).