3-fluoro-4-quinoxalin-2-ylbenzonitrile

C15H8FN3 — CID 135058475

IUPAC3-fluoro-4-quinoxalin-2-ylbenzonitrile
SMILESN#Cc1ccc(-c2cnc3ccccc3n2)c(F)c1
InChIInChI=1S/C15H8FN3/c16-12-7-10(8-17)5-6-11(12)15-9-18-13-3-1-2-4-14(13)19-15/h1-7,9H
InChIKeyHXKAZRYZGBATFY-UHFFFAOYSA-N
MW249.25 g/mol
LogP3.31
Rot. Bonds1

About 3-fluoro-4-quinoxalin-2-ylbenzonitrile

3-fluoro-4-quinoxalin-2-ylbenzonitrile (PubChem CID 135058475) has the molecular formula C15H8FN3 and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-fluoro-4-quinoxalin-2-ylbenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-quinoxalin-2-ylbenzonitrile
PubChem CID135058475
Molecular FormulaC15H8FN3
Molecular Weight249.25 g/mol
Exact Mass249.07
IUPAC Name3-fluoro-4-quinoxalin-2-ylbenzonitrile
SMILESN#Cc1ccc(-c2cnc3ccccc3n2)c(F)c1
InChIInChI=1S/C15H8FN3/c16-12-7-10(8-17)5-6-11(12)15-9-18-13-3-1-2-4-14(13)19-15/h1-7,9H
InChIKeyHXKAZRYZGBATFY-UHFFFAOYSA-N
XLogP3.31
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)quinoxaline
CID 102428437
2-quinoxalin-2-yl-3H-benzimidazole-5-carbonitrile
CID 107356609
3-amino-4-(6,7-dimethylquinoxalin-2-yl)benzonitrile
CID 159607031
3-fluoro-4-(4-fluoro-3-pyridinyl)benzonitrile
CID 142495125
3,5-difluoro-4-quinolin-3-yloxybenzonitrile
CID 107387129
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorobenzonitrile
CID 134476233
3-[5-(2,6-diphenylpyrimidin-4-yl)-2-fluorophenyl]-4-fluorobenzonitrile
CID 138515632
4-(2-chloro-3-fluorophenyl)-3-fluorobenzonitrile
CID 142565604
2-(2-chloro-4-nitrophenyl)quinoxaline
CID 134092942
3-[methyl(quinoxalin-2-yl)amino]benzonitrile
CID 62982621
2-quinolin-3-ylpyridine-4-carbonitrile
CID 56718080

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-quinoxalin-2-ylbenzonitrile?
The IUPAC name of 3-fluoro-4-quinoxalin-2-ylbenzonitrile (CID 135058475) is 3-fluoro-4-quinoxalin-2-ylbenzonitrile.
What is the SMILES notation for 3-fluoro-4-quinoxalin-2-ylbenzonitrile?
The canonical SMILES for 3-fluoro-4-quinoxalin-2-ylbenzonitrile is N#Cc1ccc(-c2cnc3ccccc3n2)c(F)c1.
What is the InChIKey of 3-fluoro-4-quinoxalin-2-ylbenzonitrile?
The InChIKey is HXKAZRYZGBATFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3/c16-12-7-10(8-17)5-6-11(12)15-9-18-13-3-1-2-4-14(13)19-15/h1-7,9H.
What are the key properties of 3-fluoro-4-quinoxalin-2-ylbenzonitrile?
3-fluoro-4-quinoxalin-2-ylbenzonitrile has a molecular weight of 249.25 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-quinoxalin-2-ylbenzonitrile is sourced from PubChem (CID 135058475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).