2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile

C15H9FN2O — CID 22561891

IUPAC2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3c2CC(=O)N3)ccc1F
InChIInChI=1S/C15H9FN2O/c16-13-5-4-9(6-10(13)8-17)11-2-1-3-14-12(11)7-15(19)18-14/h1-6H,7H2,(H,18,19)
InChIKeyNHCRDKAWLGXHQO-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.86
Rot. Bonds1

About 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile

2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile (PubChem CID 22561891) has the molecular formula C15H9FN2O and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile
PubChem CID22561891
Molecular FormulaC15H9FN2O
Molecular Weight252.25 g/mol
Exact Mass252.07
IUPAC Name2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile
SMILESN#Cc1cc(-c2cccc3c2CC(=O)N3)ccc1F
InChIInChI=1S/C15H9FN2O/c16-13-5-4-9(6-10(13)8-17)11-2-1-3-14-12(11)7-15(19)18-14/h1-6H,7H2,(H,18,19)
InChIKeyNHCRDKAWLGXHQO-UHFFFAOYSA-N
XLogP2.86
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile?
The IUPAC name of 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile (CID 22561891) is 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile.
What is the SMILES notation for 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile?
The canonical SMILES for 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile is N#Cc1cc(-c2cccc3c2CC(=O)N3)ccc1F.
What is the InChIKey of 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile?
The InChIKey is NHCRDKAWLGXHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9FN2O/c16-13-5-4-9(6-10(13)8-17)11-2-1-3-14-12(11)7-15(19)18-14/h1-6H,7H2,(H,18,19).
What are the key properties of 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile?
2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile has a molecular weight of 252.25 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-oxo-1,3-dihydroindol-4-yl)benzonitrile is sourced from PubChem (CID 22561891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).