2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile

C13H6BrF2N — CID 11415159

IUPAC2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrF2N/c14-9-1-4-13(16)12(6-9)11-3-2-10(15)5-8(11)7-17/h1-6H
InChIKeyWLPBLIAXAWKMEB-UHFFFAOYSA-N
MW294.10 g/mol
LogP4.27
Rot. Bonds1

About 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile

2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile (PubChem CID 11415159) has the molecular formula C13H6BrF2N and a molecular weight of 294.10 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile
PubChem CID11415159
Molecular FormulaC13H6BrF2N
Molecular Weight294.10 g/mol
Exact Mass292.97
IUPAC Name2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile
SMILESN#Cc1cc(F)ccc1-c1cc(Br)ccc1F
InChIInChI=1S/C13H6BrF2N/c14-9-1-4-13(16)12(6-9)11-3-2-10(15)5-8(11)7-17/h1-6H
InChIKeyWLPBLIAXAWKMEB-UHFFFAOYSA-N
XLogP4.27
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile (CID 11415159) is 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile is N#Cc1cc(F)ccc1-c1cc(Br)ccc1F.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile?
The InChIKey is WLPBLIAXAWKMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF2N/c14-9-1-4-13(16)12(6-9)11-3-2-10(15)5-8(11)7-17/h1-6H.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile?
2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile has a molecular weight of 294.10 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-5-fluorobenzonitrile is sourced from PubChem (CID 11415159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).