8-bromo-7-fluoroquinoxaline-5-carbonitrile

C9H3BrFN3 — CID 129241115

IUPAC8-bromo-7-fluoroquinoxaline-5-carbonitrile
SMILESN#Cc1cc(F)c(Br)c2nccnc12
InChIInChI=1S/C9H3BrFN3/c10-7-6(11)3-5(4-12)8-9(7)14-2-1-13-8/h1-3H
InChIKeyYNJPRSHLUIESDD-UHFFFAOYSA-N
MW252.05 g/mol
LogP2.40
Rot. Bonds

About 8-bromo-7-fluoroquinoxaline-5-carbonitrile

8-bromo-7-fluoroquinoxaline-5-carbonitrile (PubChem CID 129241115) has the molecular formula C9H3BrFN3 and a molecular weight of 252.05 g/mol. Its IUPAC name is 8-bromo-7-fluoroquinoxaline-5-carbonitrile.

Molecular Properties

Compound Name8-bromo-7-fluoroquinoxaline-5-carbonitrile
PubChem CID129241115
Molecular FormulaC9H3BrFN3
Molecular Weight252.05 g/mol
Exact Mass250.95
IUPAC Name8-bromo-7-fluoroquinoxaline-5-carbonitrile
SMILESN#Cc1cc(F)c(Br)c2nccnc12
InChIInChI=1S/C9H3BrFN3/c10-7-6(11)3-5(4-12)8-9(7)14-2-1-13-8/h1-3H
InChIKeyYNJPRSHLUIESDD-UHFFFAOYSA-N
XLogP2.40
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.05
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoroquinoxaline-5-carbonitrile?
The IUPAC name of 8-bromo-7-fluoroquinoxaline-5-carbonitrile (CID 129241115) is 8-bromo-7-fluoroquinoxaline-5-carbonitrile.
What is the SMILES notation for 8-bromo-7-fluoroquinoxaline-5-carbonitrile?
The canonical SMILES for 8-bromo-7-fluoroquinoxaline-5-carbonitrile is N#Cc1cc(F)c(Br)c2nccnc12.
What is the InChIKey of 8-bromo-7-fluoroquinoxaline-5-carbonitrile?
The InChIKey is YNJPRSHLUIESDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrFN3/c10-7-6(11)3-5(4-12)8-9(7)14-2-1-13-8/h1-3H.
What are the key properties of 8-bromo-7-fluoroquinoxaline-5-carbonitrile?
8-bromo-7-fluoroquinoxaline-5-carbonitrile has a molecular weight of 252.05 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoroquinoxaline-5-carbonitrile is sourced from PubChem (CID 129241115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).