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

C9H8BrF3N2O — CID 166140871

IUPAC2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)CBr
InChIInChI=1S/C9H8BrF3N2O/c1-5-6(15-8(16)4-10)2-3-7(14-5)9(11,12)13/h2-3H,4H2,1H3,(H,15,16)
InChIKeyBCBUOFFCHWLHOT-UHFFFAOYSA-N
MW297.07 g/mol
LogP2.74
Rot. Bonds2

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

2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 166140871) has the molecular formula C9H8BrF3N2O and a molecular weight of 297.07 g/mol. Its IUPAC name is 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID166140871
Molecular FormulaC9H8BrF3N2O
Molecular Weight297.07 g/mol
Exact Mass295.98
IUPAC Name2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCc1nc(C(F)(F)F)ccc1NC(=O)CBr
InChIInChI=1S/C9H8BrF3N2O/c1-5-6(15-8(16)4-10)2-3-7(14-5)9(11,12)13/h2-3H,4H2,1H3,(H,15,16)
InChIKeyBCBUOFFCHWLHOT-UHFFFAOYSA-N
XLogP2.74
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.07
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]urea
CID 129348770
2,3-dimethyl-6-(trifluoromethyl)pyridine;propan-2-one
CID 143235788
1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]ethanone
CID 2782900
N-(4-acetamidophenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31847359
tert-butyl 4-[2-bromo-5-ethyl-4-[2-[[2-methyl-6-(trifluoromethyl)-3-pyridinyl]amino]-2-oxoethyl]-7-oxo-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]piperazine-1-carboxylate
CID 166140659
N-(6-bromo-2-methyl-3-pyridinyl)-2-(4-fluorophenyl)acetamide
CID 113349881
N-(2-aminoethyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 119382029
N,2-dimethyl-N-[2-[methyl-[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 112843308
3-methyl-1-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]butan-1-one
CID 167670286
2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-tert-butylphenyl)-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 31890720
3-[[2-methyl-6-(trifluoromethyl)pyridine-3-carbonyl]amino]propanoic acid
CID 119140189

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide (CID 166140871) is 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide is Cc1nc(C(F)(F)F)ccc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is BCBUOFFCHWLHOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O/c1-5-6(15-8(16)4-10)2-3-7(14-5)9(11,12)13/h2-3H,4H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide?
2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 297.07 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 166140871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).