6-bromo-3-fluoropyrazine-2-carbonitrile

C5HBrFN3 — CID 154733386

IUPAC6-bromo-3-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(Br)cnc1F
InChIInChI=1S/C5HBrFN3/c6-4-2-9-5(7)3(1-8)10-4/h2H
InChIKeyWYJQJWHOHKMXSS-UHFFFAOYSA-N
MW201.99 g/mol
LogP1.25
Rot. Bonds

About 6-bromo-3-fluoropyrazine-2-carbonitrile

6-bromo-3-fluoropyrazine-2-carbonitrile (PubChem CID 154733386) has the molecular formula C5HBrFN3 and a molecular weight of 201.99 g/mol. Its IUPAC name is 6-bromo-3-fluoropyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-bromo-3-fluoropyrazine-2-carbonitrile
PubChem CID154733386
Molecular FormulaC5HBrFN3
Molecular Weight201.99 g/mol
Exact Mass200.93
IUPAC Name6-bromo-3-fluoropyrazine-2-carbonitrile
SMILESN#Cc1nc(Br)cnc1F
InChIInChI=1S/C5HBrFN3/c6-4-2-9-5(7)3(1-8)10-4/h2H
InChIKeyWYJQJWHOHKMXSS-UHFFFAOYSA-N
XLogP1.25
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.99
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoropyrazine-2-carbonitrile?
The IUPAC name of 6-bromo-3-fluoropyrazine-2-carbonitrile (CID 154733386) is 6-bromo-3-fluoropyrazine-2-carbonitrile.
What is the SMILES notation for 6-bromo-3-fluoropyrazine-2-carbonitrile?
The canonical SMILES for 6-bromo-3-fluoropyrazine-2-carbonitrile is N#Cc1nc(Br)cnc1F.
What is the InChIKey of 6-bromo-3-fluoropyrazine-2-carbonitrile?
The InChIKey is WYJQJWHOHKMXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HBrFN3/c6-4-2-9-5(7)3(1-8)10-4/h2H.
What are the key properties of 6-bromo-3-fluoropyrazine-2-carbonitrile?
6-bromo-3-fluoropyrazine-2-carbonitrile has a molecular weight of 201.99 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoropyrazine-2-carbonitrile is sourced from PubChem (CID 154733386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).