2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile

C9H3BrCl2N4 — CID 169341444

IUPAC2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C9H3BrCl2N4/c10-8-6(11)1-2-7(9(8)12)16-15-5(3-13)4-14/h1-2,16H
InChIKeyUTUFOEYJTSPZEJ-UHFFFAOYSA-N
MW317.96 g/mol
LogP3.57
Rot. Bonds2

About 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile

2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341444) has the molecular formula C9H3BrCl2N4 and a molecular weight of 317.96 g/mol. Its IUPAC name is 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
PubChem CID169341444
Molecular FormulaC9H3BrCl2N4
Molecular Weight317.96 g/mol
Exact Mass315.89
IUPAC Name2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(Cl)c(Br)c1Cl
InChIInChI=1S/C9H3BrCl2N4/c10-8-6(11)1-2-7(9(8)12)16-15-5(3-13)4-14/h1-2,16H
InChIKeyUTUFOEYJTSPZEJ-UHFFFAOYSA-N
XLogP3.57
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.96
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile (CID 169341444) is 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(Cl)c(Br)c1Cl.
What is the InChIKey of 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is UTUFOEYJTSPZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3BrCl2N4/c10-8-6(11)1-2-7(9(8)12)16-15-5(3-13)4-14/h1-2,16H.
What are the key properties of 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile?
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 317.96 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).