2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile

C13H7BrN4 — CID 23013

IUPAC2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(Br)c2ccccc12
InChIInChI=1S/C13H7BrN4/c14-12-5-6-13(18-17-9(7-15)8-16)11-4-2-1-3-10(11)12/h1-6,9H/b18-17+
InChIKeyMEVIYQPHPRGOGJ-ISLYRVAYSA-N
MW299.13 g/mol
LogP4.10
Rot. Bonds2

About 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile

2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile (PubChem CID 23013) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile
PubChem CID23013
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(Br)c2ccccc12
InChIInChI=1S/C13H7BrN4/c14-12-5-6-13(18-17-9(7-15)8-16)11-4-2-1-3-10(11)12/h1-6,9H/b18-17+
InChIKeyMEVIYQPHPRGOGJ-ISLYRVAYSA-N
XLogP4.10
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile (CID 23013) is 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile is N#CC(C#N)/N=N/c1ccc(Br)c2ccccc12.
What is the InChIKey of 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile?
The InChIKey is MEVIYQPHPRGOGJ-ISLYRVAYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-12-5-6-13(18-17-9(7-15)8-16)11-4-2-1-3-10(11)12/h1-6,9H/b18-17+.
What are the key properties of 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile?
2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile has a molecular weight of 299.13 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromonaphthalen-1-yl)diazenyl]propanedinitrile is sourced from PubChem (CID 23013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).