N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide

C9H8BrF3N2O2 — CID 103819467

IUPACN-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1cccnc1Br
InChIInChI=1S/C9H8BrF3N2O2/c10-8-6(2-1-3-14-8)15-7(16)4-17-5-9(11,12)13/h1-3H,4-5H2,(H,15,16)
InChIKeyGXRRAPKOMHSZLR-UHFFFAOYSA-N
MW313.07 g/mol
LogP2.36
Rot. Bonds4

About N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103819467) has the molecular formula C9H8BrF3N2O2 and a molecular weight of 313.07 g/mol. Its IUPAC name is N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103819467
Molecular FormulaC9H8BrF3N2O2
Molecular Weight313.07 g/mol
Exact Mass311.97
IUPAC NameN-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)Nc1cccnc1Br
InChIInChI=1S/C9H8BrF3N2O2/c10-8-6(2-1-3-14-8)15-7(16)4-17-5-9(11,12)13/h1-3H,4-5H2,(H,15,16)
InChIKeyGXRRAPKOMHSZLR-UHFFFAOYSA-N
XLogP2.36
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
N-(2-bromo-3-pyridinyl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103943345
N-[2-(4-methoxyphenoxy)-3-pyridinyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 55763297
N-(3-bromoquinolin-8-yl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208586
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzenesulfonyl fluoride
CID 103213870
N-(3-iodo-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 113368783
3-bromo-4-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103206033
N-(3-chloro-2-methylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 86915349
2-[(2-bromo-3-pyridinyl)oxy]-N-(2-fluorophenyl)acetamide
CID 65102015
4-bromo-2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]benzoic acid
CID 103205874
3-[2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]phenyl]propanoic acid
CID 107272426
N-(3-bromo-2-pyridinyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103725412

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103819467) is N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)Nc1cccnc1Br.
What is the InChIKey of N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is GXRRAPKOMHSZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O2/c10-8-6(2-1-3-14-8)15-7(16)4-17-5-9(11,12)13/h1-3H,4-5H2,(H,15,16).
What are the key properties of N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 313.07 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-pyridinyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103819467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).