2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile

C15H10BrFN2 — CID 107533105

IUPAC2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCc3ccccc32)c(F)c1Br
InChIInChI=1S/C15H10BrFN2/c16-14-11(9-18)5-6-13(15(14)17)19-8-7-10-3-1-2-4-12(10)19/h1-6H,7-8H2
InChIKeyJJYFVZGFWWFUDA-UHFFFAOYSA-N
MW317.16 g/mol
LogP4.15
Rot. Bonds1

About 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile

2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile (PubChem CID 107533105) has the molecular formula C15H10BrFN2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile
PubChem CID107533105
Molecular FormulaC15H10BrFN2
Molecular Weight317.16 g/mol
Exact Mass316.00
IUPAC Name2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile
SMILESN#Cc1ccc(N2CCc3ccccc32)c(F)c1Br
InChIInChI=1S/C15H10BrFN2/c16-14-11(9-18)5-6-13(15(14)17)19-8-7-10-3-1-2-4-12(10)19/h1-6H,7-8H2
InChIKeyJJYFVZGFWWFUDA-UHFFFAOYSA-N
XLogP4.15
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(chloromethyl)-2-(2,3-dihydroindol-1-yl)benzonitrile
CID 114063521
2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 21297635
2-bromo-3-fluoro-4-(4-hydroxypiperidin-1-yl)benzonitrile
CID 107533122
2-bromo-3-fluoro-4-(3-oxopiperidin-1-yl)benzonitrile
CID 107535741
4-(3-aminoazetidin-1-yl)-2-bromo-3-fluorobenzonitrile
CID 107537698
5-fluoro-2-(6-fluoro-2,3-dihydroindol-1-yl)benzonitrile
CID 103495541
2-bromo-4-(2,4-dimethylpiperidin-1-yl)-3-fluorobenzonitrile
CID 107533586
4-(3-aminopyrrolidin-1-yl)-2-bromo-3-fluorobenzonitrile
CID 107537637
4-(3,4-dihydro-2H-quinolin-1-yl)-3-fluorobenzonitrile
CID 43657235
4-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 63511425
2-bromo-3-fluoro-4-(1,4-oxazepan-4-yl)benzonitrile
CID 107533633
5-chloro-2-(3,4-dihydro-2H-quinolin-1-yl)benzonitrile
CID 55195565

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile?
The IUPAC name of 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile (CID 107533105) is 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile?
The canonical SMILES for 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile is N#Cc1ccc(N2CCc3ccccc32)c(F)c1Br.
What is the InChIKey of 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile?
The InChIKey is JJYFVZGFWWFUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2/c16-14-11(9-18)5-6-13(15(14)17)19-8-7-10-3-1-2-4-12(10)19/h1-6H,7-8H2.
What are the key properties of 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile?
2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile has a molecular weight of 317.16 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2,3-dihydroindol-1-yl)-3-fluorobenzonitrile is sourced from PubChem (CID 107533105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).