N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide

C7H3BrF4N2O — CID 110495813

IUPACN-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ncc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C7H3BrF4N2O/c8-4-1-3(9)2-13-5(4)14-6(15)7(10,11)12/h1-2H,(H,13,14,15)
InChIKeyGOTRWTFTLMUYJK-UHFFFAOYSA-N
MW287.01 g/mol
LogP2.48
Rot. Bonds1

About N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide

N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide (PubChem CID 110495813) has the molecular formula C7H3BrF4N2O and a molecular weight of 287.01 g/mol. Its IUPAC name is N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide
PubChem CID110495813
Molecular FormulaC7H3BrF4N2O
Molecular Weight287.01 g/mol
Exact Mass285.94
IUPAC NameN-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ncc(F)cc1Br)C(F)(F)F
InChIInChI=1S/C7H3BrF4N2O/c8-4-1-3(9)2-13-5(4)14-6(15)7(10,11)12/h1-2H,(H,13,14,15)
InChIKeyGOTRWTFTLMUYJK-UHFFFAOYSA-N
XLogP2.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.01
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide (CID 110495813) is N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide is O=C(Nc1ncc(F)cc1Br)C(F)(F)F.
What is the InChIKey of N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide?
The InChIKey is GOTRWTFTLMUYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF4N2O/c8-4-1-3(9)2-13-5(4)14-6(15)7(10,11)12/h1-2H,(H,13,14,15).
What are the key properties of N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide?
N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide has a molecular weight of 287.01 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-fluoro-2-pyridinyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 110495813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).