2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile

C10H5Br2ClN4 — CID 169337694

IUPAC2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1c(Cl)c(Br)cc(Br)c1NN=C(C#N)C#N
InChIInChI=1S/C10H5Br2ClN4/c1-5-9(13)7(11)2-8(12)10(5)17-16-6(3-14)4-15/h2,17H,1H3
InChIKeyIGQWTVSNJKPAON-UHFFFAOYSA-N
MW376.44 g/mol
LogP3.99
Rot. Bonds2

About 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile

2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile (PubChem CID 169337694) has the molecular formula C10H5Br2ClN4 and a molecular weight of 376.44 g/mol. Its IUPAC name is 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile
PubChem CID169337694
Molecular FormulaC10H5Br2ClN4
Molecular Weight376.44 g/mol
Exact Mass373.86
IUPAC Name2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile
SMILESCc1c(Cl)c(Br)cc(Br)c1NN=C(C#N)C#N
InChIInChI=1S/C10H5Br2ClN4/c1-5-9(13)7(11)2-8(12)10(5)17-16-6(3-14)4-15/h2,17H,1H3
InChIKeyIGQWTVSNJKPAON-UHFFFAOYSA-N
XLogP3.99
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.44
LogP ≤ 53.99
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_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromo-4-chloro-6-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169337375
2-[(3-bromo-2-chloro-5-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169341390
methyl 3,5-dibromo-4-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 3049418
2-[(2,6-dichloro-4-cyanophenyl)hydrazinylidene]propanedinitrile
CID 3049422
2-[(2,6-difluoro-4-methylphenyl)hydrazinylidene]propanedinitrile
CID 169339068
2-[(3-bromo-5-chloro-4-hydroxyphenyl)hydrazinylidene]propanedinitrile
CID 169338715
2-[(4-bromo-2-methoxy-3-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338883
3-bromo-4-[2-(dicyanomethylidene)hydrazinyl]-5-fluorobenzoic acid
CID 169338097
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[(4,5-dimethoxy-2-methylphenyl)hydrazinylidene]propanedinitrile
CID 169338095
2-[(3-bromo-5-chloro-2-ethoxyphenyl)hydrazinylidene]propanedinitrile
CID 169338504
methyl 3-bromo-6-[2-(dicyanomethylidene)hydrazinyl]-2-methylbenzoate
CID 169339449

Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile (CID 169337694) is 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile is Cc1c(Cl)c(Br)cc(Br)c1NN=C(C#N)C#N.
What is the InChIKey of 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile?
The InChIKey is IGQWTVSNJKPAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Br2ClN4/c1-5-9(13)7(11)2-8(12)10(5)17-16-6(3-14)4-15/h2,17H,1H3.
What are the key properties of 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile?
2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile has a molecular weight of 376.44 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dibromo-3-chloro-2-methylphenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).