4-bromobenzene-1,2-dicarbonitrile

C8H3BrN2 — CID 11356223

IUPAC4-bromobenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Br)cc1C#N
InChIInChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChIKeyARAONWRSVQOHIT-UHFFFAOYSA-N
MW207.03 g/mol
LogP2.19
Rot. Bonds

About 4-bromobenzene-1,2-dicarbonitrile

4-bromobenzene-1,2-dicarbonitrile (PubChem CID 11356223) has the molecular formula C8H3BrN2 and a molecular weight of 207.03 g/mol. Its IUPAC name is 4-bromobenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-bromobenzene-1,2-dicarbonitrile
PubChem CID11356223
Molecular FormulaC8H3BrN2
Molecular Weight207.03 g/mol
Exact Mass205.95
IUPAC Name4-bromobenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(Br)cc1C#N
InChIInChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H
InChIKeyARAONWRSVQOHIT-UHFFFAOYSA-N
XLogP2.19
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.03
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromobenzene-1,2-dicarbonitrile?
The IUPAC name of 4-bromobenzene-1,2-dicarbonitrile (CID 11356223) is 4-bromobenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-bromobenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-bromobenzene-1,2-dicarbonitrile is N#Cc1ccc(Br)cc1C#N.
What is the InChIKey of 4-bromobenzene-1,2-dicarbonitrile?
The InChIKey is ARAONWRSVQOHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrN2/c9-8-2-1-6(4-10)7(3-8)5-11/h1-3H.
What are the key properties of 4-bromobenzene-1,2-dicarbonitrile?
4-bromobenzene-1,2-dicarbonitrile has a molecular weight of 207.03 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromobenzene-1,2-dicarbonitrile is sourced from PubChem (CID 11356223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).