N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide

C8H8BrF2N3O — CID 130705072

IUPACN-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide
SMILESCC(F)(F)CC(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C8H8BrF2N3O/c1-8(10,11)2-7(15)14-6-4-12-5(9)3-13-6/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyNFYRWROOFPYXLH-UHFFFAOYSA-N
MW280.07 g/mol
LogP2.22
Rot. Bonds3

About N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide

N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide (PubChem CID 130705072) has the molecular formula C8H8BrF2N3O and a molecular weight of 280.07 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide
PubChem CID130705072
Molecular FormulaC8H8BrF2N3O
Molecular Weight280.07 g/mol
Exact Mass278.98
IUPAC NameN-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide
SMILESCC(F)(F)CC(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C8H8BrF2N3O/c1-8(10,11)2-7(15)14-6-4-12-5(9)3-13-6/h3-4H,2H2,1H3,(H,13,14,15)
InChIKeyNFYRWROOFPYXLH-UHFFFAOYSA-N
XLogP2.22
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.07
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide (CID 130705072) is N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide is CC(F)(F)CC(=O)Nc1cnc(Br)cn1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide?
The InChIKey is NFYRWROOFPYXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrF2N3O/c1-8(10,11)2-7(15)14-6-4-12-5(9)3-13-6/h3-4H,2H2,1H3,(H,13,14,15).
What are the key properties of N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide?
N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide has a molecular weight of 280.07 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrazin-2-yl)-3,3-difluorobutanamide is sourced from PubChem (CID 130705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).