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

C9H8BrF3N2O2 — CID 535995

IUPAC2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(C(F)(F)F)cc1NC(=O)CBr
InChIInChI=1S/C9H8BrF3N2O2/c1-17-8-6(15-7(16)3-10)2-5(4-14-8)9(11,12)13/h2,4H,3H2,1H3,(H,15,16)
InChIKeyVINGSNOGRGNKAH-UHFFFAOYSA-N
MW313.07 g/mol
LogP2.44
Rot. Bonds3

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

2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (PubChem CID 535995) has the molecular formula C9H8BrF3N2O2 and a molecular weight of 313.07 g/mol. Its IUPAC name is 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
PubChem CID535995
Molecular FormulaC9H8BrF3N2O2
Molecular Weight313.07 g/mol
Exact Mass311.97
IUPAC Name2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide
SMILESCOc1ncc(C(F)(F)F)cc1NC(=O)CBr
InChIInChI=1S/C9H8BrF3N2O2/c1-17-8-6(15-7(16)3-10)2-5(4-14-8)9(11,12)13/h2,4H,3H2,1H3,(H,15,16)
InChIKeyVINGSNOGRGNKAH-UHFFFAOYSA-N
XLogP2.44
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.07
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]carbamate
CID 155729088
1-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]ethanone
CID 53423580
N-(5-bromo-2-methoxy-3-pyridinyl)propanamide
CID 71304513
3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3-oxopropanoic acid
CID 1487270
3-ethoxy-N-(2-methoxy-5-methyl-3-pyridinyl)propanamide
CID 71983266
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
N-(2-methoxy-5-methyl-3-pyridinyl)-2-(4-methylpyrazol-1-yl)acetamide
CID 139006633
methyl 3-bromo-5-(trifluoromethyl)pyridine-2-carboxylate
CID 46311089
methyl 3-methoxy-5-(trifluoromethyl)pyridine-2-carboxylate
CID 121231628
3-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-ol
CID 169454116
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
methyl N-[3-[fluoro(phosphanyl)methoxy]-5-(trifluoromethyl)-2-pyridinyl]carbamate
CID 166824016

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The IUPAC name of 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide (CID 535995) is 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is COc1ncc(C(F)(F)F)cc1NC(=O)CBr.
What is the InChIKey of 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
The InChIKey is VINGSNOGRGNKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF3N2O2/c1-17-8-6(15-7(16)3-10)2-5(4-14-8)9(11,12)13/h2,4H,3H2,1H3,(H,15,16).
What are the key properties of 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide?
2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide has a molecular weight of 313.07 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-methoxy-5-(trifluoromethyl)-3-pyridinyl]acetamide is sourced from PubChem (CID 535995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).