N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide

C6H4BrF2N3O — CID 103513843

IUPACN-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide
SMILESO=C(Nc1cnc(Br)cn1)C(F)F
InChIInChI=1S/C6H4BrF2N3O/c7-3-1-11-4(2-10-3)12-6(13)5(8)9/h1-2,5H,(H,11,12,13)
InChIKeyBTDDZPHTRPGNJQ-UHFFFAOYSA-N
MW252.02 g/mol
LogP1.44
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide

N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide (PubChem CID 103513843) has the molecular formula C6H4BrF2N3O and a molecular weight of 252.02 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide
PubChem CID103513843
Molecular FormulaC6H4BrF2N3O
Molecular Weight252.02 g/mol
Exact Mass250.95
IUPAC NameN-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide
SMILESO=C(Nc1cnc(Br)cn1)C(F)F
InChIInChI=1S/C6H4BrF2N3O/c7-3-1-11-4(2-10-3)12-6(13)5(8)9/h1-2,5H,(H,11,12,13)
InChIKeyBTDDZPHTRPGNJQ-UHFFFAOYSA-N
XLogP1.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.02
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(5-bromopyrazin-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide (CID 103513843) is N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide is O=C(Nc1cnc(Br)cn1)C(F)F.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide?
The InChIKey is BTDDZPHTRPGNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrF2N3O/c7-3-1-11-4(2-10-3)12-6(13)5(8)9/h1-2,5H,(H,11,12,13).
What are the key properties of N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide?
N-(5-bromopyrazin-2-yl)-2,2-difluoroacetamide has a molecular weight of 252.02 g/mol, XLogP of 1.44, 2 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)-2,2-difluoroacetamide is sourced from PubChem (CID 103513843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).