5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

C8H6BrF3N2O2 — CID 81343082

IUPAC5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H6BrF3N2O2/c9-5-1-2-6(13-3-5)7(15)14-16-4-8(10,11)12/h1-3H,4H2,(H,14,15)
InChIKeySDZVLWGVLKXOGN-UHFFFAOYSA-N
MW299.05 g/mol
LogP2.07
Rot. Bonds3

About 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide

5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (PubChem CID 81343082) has the molecular formula C8H6BrF3N2O2 and a molecular weight of 299.05 g/mol. Its IUPAC name is 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
PubChem CID81343082
Molecular FormulaC8H6BrF3N2O2
Molecular Weight299.05 g/mol
Exact Mass297.96
IUPAC Name5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
SMILESO=C(NOCC(F)(F)F)c1ccc(Br)cn1
InChIInChI=1S/C8H6BrF3N2O2/c9-5-1-2-6(13-3-5)7(15)14-16-4-8(10,11)12/h1-3H,4H2,(H,14,15)
InChIKeySDZVLWGVLKXOGN-UHFFFAOYSA-N
XLogP2.07
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.05
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-phenylmethoxypyridine-2-carboxamide
CID 62998593
N-(2,2,2-trifluoroethoxy)-1,3-thiazole-4-carboxamide
CID 81343248
2,5-dibromo-N-(2,2,2-trifluoroethoxy)benzamide
CID 114374002
5-bromo-2-hydroxy-N-(2,2,2-trifluoroethoxy)benzamide
CID 103793439
6-chloro-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81343163
N-(2-methoxyethoxy)-5-(trifluoromethyl)pyridine-2-carboxamide
CID 113249806
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198
5-bromo-N-propan-2-ylpyridine-2-carboxamide
CID 26370111
5-bromo-N-(2,2-difluoroethyl)pyridine-2-carboxamide
CID 79080153
3-[(5-bromopyridine-2-carbonyl)amino]-4-methoxy-3-methylbutanoic acid
CID 120532186
3-[(5-bromopyridine-2-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427045
6-methyl-N-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 81340039

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The IUPAC name of 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide (CID 81343082) is 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The canonical SMILES for 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is O=C(NOCC(F)(F)F)c1ccc(Br)cn1.
What is the InChIKey of 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
The InChIKey is SDZVLWGVLKXOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrF3N2O2/c9-5-1-2-6(13-3-5)7(15)14-16-4-8(10,11)12/h1-3H,4H2,(H,14,15).
What are the key properties of 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide?
5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide has a molecular weight of 299.05 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide is sourced from PubChem (CID 81343082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).