3-bromo-5-fluorobenzonitrile

C7H3BrFN — CID 2783330

IUPAC3-bromo-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Br)c1
InChIInChI=1S/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyIADLVSLZPQYXIF-UHFFFAOYSA-N
MW200.01 g/mol
LogP2.46
Rot. Bonds

About 3-bromo-5-fluorobenzonitrile

3-bromo-5-fluorobenzonitrile (PubChem CID 2783330) has the molecular formula C7H3BrFN and a molecular weight of 200.01 g/mol. Its IUPAC name is 3-bromo-5-fluorobenzonitrile.

Molecular Properties

Compound Name3-bromo-5-fluorobenzonitrile
PubChem CID2783330
Molecular FormulaC7H3BrFN
Molecular Weight200.01 g/mol
Exact Mass198.94
IUPAC Name3-bromo-5-fluorobenzonitrile
SMILESN#Cc1cc(F)cc(Br)c1
InChIInChI=1S/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChIKeyIADLVSLZPQYXIF-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 3-bromo-5-fluorobenzonitrile?
The IUPAC name of 3-bromo-5-fluorobenzonitrile (CID 2783330) is 3-bromo-5-fluorobenzonitrile.
What is the SMILES notation for 3-bromo-5-fluorobenzonitrile?
The canonical SMILES for 3-bromo-5-fluorobenzonitrile is N#Cc1cc(F)cc(Br)c1.
What is the InChIKey of 3-bromo-5-fluorobenzonitrile?
The InChIKey is IADLVSLZPQYXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H.
What are the key properties of 3-bromo-5-fluorobenzonitrile?
3-bromo-5-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 3-bromo-5-fluorobenzonitrile is sourced from PubChem (CID 2783330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).