N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide

C7H5BrF3N3O — CID 134560762

IUPACN-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ncc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H5BrF3N3O/c8-4-1-12-5(13-2-4)3-14-6(15)7(9,10)11/h1-2H,3H2,(H,14,15)
InChIKeyGGFCIZCDUMZSAT-UHFFFAOYSA-N
MW284.04 g/mol
LogP1.42
Rot. Bonds2

About N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide

N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 134560762) has the molecular formula C7H5BrF3N3O and a molecular weight of 284.04 g/mol. Its IUPAC name is N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide
PubChem CID134560762
Molecular FormulaC7H5BrF3N3O
Molecular Weight284.04 g/mol
Exact Mass282.96
IUPAC NameN-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1ncc(Br)cn1)C(F)(F)F
InChIInChI=1S/C7H5BrF3N3O/c8-4-1-12-5(13-2-4)3-14-6(15)7(9,10)11/h1-2H,3H2,(H,14,15)
InChIKeyGGFCIZCDUMZSAT-UHFFFAOYSA-N
XLogP1.42
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.04
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide (CID 134560762) is N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide is O=C(NCc1ncc(Br)cn1)C(F)(F)F.
What is the InChIKey of N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is GGFCIZCDUMZSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3N3O/c8-4-1-12-5(13-2-4)3-14-6(15)7(9,10)11/h1-2H,3H2,(H,14,15).
What are the key properties of N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide?
N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 284.04 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromopyrimidin-2-yl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 134560762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).