N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide

C8H9BrFN3O — CID 130165385

IUPACN-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C8H9BrFN3O/c1-8(2,10)7(14)13-6-4-11-5(9)3-12-6/h3-4H,1-2H3,(H,12,13,14)
InChIKeyPGBSVNURLIHZOS-UHFFFAOYSA-N
MW262.08 g/mol
LogP1.93
Rot. Bonds2

About N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide

N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide (PubChem CID 130165385) has the molecular formula C8H9BrFN3O and a molecular weight of 262.08 g/mol. Its IUPAC name is N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide.

Molecular Properties

Compound NameN-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide
PubChem CID130165385
Molecular FormulaC8H9BrFN3O
Molecular Weight262.08 g/mol
Exact Mass260.99
IUPAC NameN-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide
SMILESCC(C)(F)C(=O)Nc1cnc(Br)cn1
InChIInChI=1S/C8H9BrFN3O/c1-8(2,10)7(14)13-6-4-11-5(9)3-12-6/h3-4H,1-2H3,(H,12,13,14)
InChIKeyPGBSVNURLIHZOS-UHFFFAOYSA-N
XLogP1.93
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.08
LogP ≤ 51.93
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)-2-fluoro-2-methylpropanamide?
The IUPAC name of N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide (CID 130165385) is N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide.
What is the SMILES notation for N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide?
The canonical SMILES for N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide is CC(C)(F)C(=O)Nc1cnc(Br)cn1.
What is the InChIKey of N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide?
The InChIKey is PGBSVNURLIHZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN3O/c1-8(2,10)7(14)13-6-4-11-5(9)3-12-6/h3-4H,1-2H3,(H,12,13,14).
What are the key properties of N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide?
N-(5-bromopyrazin-2-yl)-2-fluoro-2-methylpropanamide has a molecular weight of 262.08 g/mol, XLogP of 1.93, 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-fluoro-2-methylpropanamide is sourced from PubChem (CID 130165385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).