4-(4-bromophenyl)-3-ethenylbenzonitrile

C15H10BrN — CID 121247724

IUPAC4-(4-bromophenyl)-3-ethenylbenzonitrile
SMILESC=Cc1cc(C#N)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrN/c1-2-12-9-11(10-17)3-8-15(12)13-4-6-14(16)7-5-13/h2-9H,1H2
InChIKeyMPERNQCSSKGNKI-UHFFFAOYSA-N
MW284.16 g/mol
LogP4.63
Rot. Bonds2

About 4-(4-bromophenyl)-3-ethenylbenzonitrile

4-(4-bromophenyl)-3-ethenylbenzonitrile (PubChem CID 121247724) has the molecular formula C15H10BrN and a molecular weight of 284.16 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-ethenylbenzonitrile.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-ethenylbenzonitrile
PubChem CID121247724
Molecular FormulaC15H10BrN
Molecular Weight284.16 g/mol
Exact Mass283.00
IUPAC Name4-(4-bromophenyl)-3-ethenylbenzonitrile
SMILESC=Cc1cc(C#N)ccc1-c1ccc(Br)cc1
InChIInChI=1S/C15H10BrN/c1-2-12-9-11(10-17)3-8-15(12)13-4-6-14(16)7-5-13/h2-9H,1H2
InChIKeyMPERNQCSSKGNKI-UHFFFAOYSA-N
XLogP4.63
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.16
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-ethenylbenzonitrile?
The IUPAC name of 4-(4-bromophenyl)-3-ethenylbenzonitrile (CID 121247724) is 4-(4-bromophenyl)-3-ethenylbenzonitrile.
What is the SMILES notation for 4-(4-bromophenyl)-3-ethenylbenzonitrile?
The canonical SMILES for 4-(4-bromophenyl)-3-ethenylbenzonitrile is C=Cc1cc(C#N)ccc1-c1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenyl)-3-ethenylbenzonitrile?
The InChIKey is MPERNQCSSKGNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrN/c1-2-12-9-11(10-17)3-8-15(12)13-4-6-14(16)7-5-13/h2-9H,1H2.
What are the key properties of 4-(4-bromophenyl)-3-ethenylbenzonitrile?
4-(4-bromophenyl)-3-ethenylbenzonitrile has a molecular weight of 284.16 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-ethenylbenzonitrile is sourced from PubChem (CID 121247724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).