2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile

C9H3Br2N5O2 — CID 169340812

IUPAC2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Br)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H3Br2N5O2/c10-6-2-9(16(17)18)7(11)1-8(6)15-14-5(3-12)4-13/h1-2,15H
InChIKeyBJORWPVNRMQCFW-UHFFFAOYSA-N
MW372.96 g/mol
LogP2.93
Rot. Bonds3

About 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile

2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169340812) has the molecular formula C9H3Br2N5O2 and a molecular weight of 372.96 g/mol. Its IUPAC name is 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
PubChem CID169340812
Molecular FormulaC9H3Br2N5O2
Molecular Weight372.96 g/mol
Exact Mass370.87
IUPAC Name2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Br)c([N+](=O)[O-])cc1Br
InChIInChI=1S/C9H3Br2N5O2/c10-6-2-9(16(17)18)7(11)1-8(6)15-14-5(3-12)4-13/h1-2,15H
InChIKeyBJORWPVNRMQCFW-UHFFFAOYSA-N
XLogP2.93
TPSA115.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.96
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-hydroxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169342003
2-(2,5-dibromo-4-nitroanilino)ethene-1,1,2-tricarbonitrile
CID 168609602
2-[(2-bromo-3,4-difluoro-6-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341384
3-bromo-4-[2-(dicyanomethylidene)hydrazinyl]-5-nitrobenzoic acid
CID 169338480
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337608
2-[(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)hydrazinylidene]propanedinitrile
CID 56695479
2-cyano-N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 168523210
2-[(4-ethoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169340530
methyl 5-bromo-2-[2-(dicyanomethylidene)hydrazinyl]-6-fluoro-3-nitrobenzoate
CID 169341313
N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
2-[[2-(2-hydroxyethyl)-3,5-dinitrophenyl]hydrazinylidene]propanedinitrile
CID 169340860
2-[(5-fluoro-4-methoxy-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169341455

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile (CID 169340812) is 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(Br)c([N+](=O)[O-])cc1Br.
What is the InChIKey of 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is BJORWPVNRMQCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Br2N5O2/c10-6-2-9(16(17)18)7(11)1-8(6)15-14-5(3-12)4-13/h1-2,15H.
What are the key properties of 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile?
2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 372.96 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dibromo-4-nitrophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169340812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).