5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile

C15H8FN3O — CID 166388499

IUPAC5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile
SMILESN#Cc1cc(F)ccc1-c1ccc2c(=O)[nH]ncc2c1
InChIInChI=1S/C15H8FN3O/c16-12-2-4-13(10(6-12)7-17)9-1-3-14-11(5-9)8-18-19-15(14)20/h1-6,8H,(H,19,20)
InChIKeyNJIFLPMWLBADOZ-UHFFFAOYSA-N
MW265.25 g/mol
LogP2.60
Rot. Bonds1

About 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile

5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile (PubChem CID 166388499) has the molecular formula C15H8FN3O and a molecular weight of 265.25 g/mol. Its IUPAC name is 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile.

Molecular Properties

Compound Name5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile
PubChem CID166388499
Molecular FormulaC15H8FN3O
Molecular Weight265.25 g/mol
Exact Mass265.07
IUPAC Name5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile
SMILESN#Cc1cc(F)ccc1-c1ccc2c(=O)[nH]ncc2c1
InChIInChI=1S/C15H8FN3O/c16-12-2-4-13(10(6-12)7-17)9-1-3-14-11(5-9)8-18-19-15(14)20/h1-6,8H,(H,19,20)
InChIKeyNJIFLPMWLBADOZ-UHFFFAOYSA-N
XLogP2.60
TPSA69.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile?
The IUPAC name of 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile (CID 166388499) is 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile.
What is the SMILES notation for 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile?
The canonical SMILES for 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile is N#Cc1cc(F)ccc1-c1ccc2c(=O)[nH]ncc2c1.
What is the InChIKey of 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile?
The InChIKey is NJIFLPMWLBADOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8FN3O/c16-12-2-4-13(10(6-12)7-17)9-1-3-14-11(5-9)8-18-19-15(14)20/h1-6,8H,(H,19,20).
What are the key properties of 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile?
5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile has a molecular weight of 265.25 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(1-oxo-2H-phthalazin-6-yl)benzonitrile is sourced from PubChem (CID 166388499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).