2-bromo-3-fluorobenzonitrile

C7H3BrFN — CID 2783393

IUPAC2-bromo-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1Br
InChIInChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChIKeyDBECKESJFGWYFN-UHFFFAOYSA-N
MW200.01 g/mol
LogP2.46
Rot. Bonds

About 2-bromo-3-fluorobenzonitrile

2-bromo-3-fluorobenzonitrile (PubChem CID 2783393) has the molecular formula C7H3BrFN and a molecular weight of 200.01 g/mol. Its IUPAC name is 2-bromo-3-fluorobenzonitrile.

Molecular Properties

Compound Name2-bromo-3-fluorobenzonitrile
PubChem CID2783393
Molecular FormulaC7H3BrFN
Molecular Weight200.01 g/mol
Exact Mass198.94
IUPAC Name2-bromo-3-fluorobenzonitrile
SMILESN#Cc1cccc(F)c1Br
InChIInChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H
InChIKeyDBECKESJFGWYFN-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 2-bromo-3-fluorobenzonitrile?
The IUPAC name of 2-bromo-3-fluorobenzonitrile (CID 2783393) is 2-bromo-3-fluorobenzonitrile.
What is the SMILES notation for 2-bromo-3-fluorobenzonitrile?
The canonical SMILES for 2-bromo-3-fluorobenzonitrile is N#Cc1cccc(F)c1Br.
What is the InChIKey of 2-bromo-3-fluorobenzonitrile?
The InChIKey is DBECKESJFGWYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN/c8-7-5(4-10)2-1-3-6(7)9/h1-3H.
What are the key properties of 2-bromo-3-fluorobenzonitrile?
2-bromo-3-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 2-bromo-3-fluorobenzonitrile is sourced from PubChem (CID 2783393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).