5-bromo-2-fluorobenzonitrile

C7H3BrFN — CID 2724900

IUPAC5-bromo-2-fluorobenzonitrile
SMILESN#Cc1cc(Br)ccc1F
InChIInChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKeyGYCNHFWRPJXTSB-UHFFFAOYSA-N
MW200.01 g/mol
LogP2.46
Rot. Bonds

About 5-bromo-2-fluorobenzonitrile

5-bromo-2-fluorobenzonitrile (PubChem CID 2724900) has the molecular formula C7H3BrFN and a molecular weight of 200.01 g/mol. Its IUPAC name is 5-bromo-2-fluorobenzonitrile.

Molecular Properties

Compound Name5-bromo-2-fluorobenzonitrile
PubChem CID2724900
Molecular FormulaC7H3BrFN
Molecular Weight200.01 g/mol
Exact Mass198.94
IUPAC Name5-bromo-2-fluorobenzonitrile
SMILESN#Cc1cc(Br)ccc1F
InChIInChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChIKeyGYCNHFWRPJXTSB-UHFFFAOYSA-N
XLogP2.46
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.01
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluorobenzonitrile?
The IUPAC name of 5-bromo-2-fluorobenzonitrile (CID 2724900) is 5-bromo-2-fluorobenzonitrile.
What is the SMILES notation for 5-bromo-2-fluorobenzonitrile?
The canonical SMILES for 5-bromo-2-fluorobenzonitrile is N#Cc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-2-fluorobenzonitrile?
The InChIKey is GYCNHFWRPJXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN/c8-6-1-2-7(9)5(3-6)4-10/h1-3H.
What are the key properties of 5-bromo-2-fluorobenzonitrile?
5-bromo-2-fluorobenzonitrile has a molecular weight of 200.01 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluorobenzonitrile is sourced from PubChem (CID 2724900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).