4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene

C16H12Br2N4O2 — CID 139202654

IUPAC4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene
SMILESOc1cc(O)c(Br)cc1Br.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/C10H8N4.C6H4Br2O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-3-1-4(8)6(10)2-5(3)9/h1-8H;1-2,9-10H/b14-13+;
InChIKeyFVLWSFZBIRBKDV-IERUDJENSA-N
MW452.11 g/mol
LogP5.51
Rot. Bonds2

About 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene

4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene (PubChem CID 139202654) has the molecular formula C16H12Br2N4O2 and a molecular weight of 452.11 g/mol. Its IUPAC name is 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene.

Molecular Properties

Compound Name4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene
PubChem CID139202654
Molecular FormulaC16H12Br2N4O2
Molecular Weight452.11 g/mol
Exact Mass449.93
IUPAC Name4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene
SMILESOc1cc(O)c(Br)cc1Br.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/C10H8N4.C6H4Br2O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-3-1-4(8)6(10)2-5(3)9/h1-8H;1-2,9-10H/b14-13+;
InChIKeyFVLWSFZBIRBKDV-IERUDJENSA-N
XLogP5.51
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.11
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202655
4,6-dichlorobenzene-1,3-diol;dipyridin-4-yldiazene
CID 139202653
benzene-1,3-diol;dipyridin-4-yldiazene
CID 139148024
2-bromo-4-[(4-hydroxyphenyl)diazenyl]phenol
CID 137221286
bis(bis(4-bromo-2,3,5,6-tetrafluorophenyl)diazene);bis(dipyridin-4-yldiazene)
CID 139043460
2-bromo-4-nitrosophenol
CID 23270210
2-bromo-4-[(4-methoxyphenyl)diazenyl]phenol
CID 137315131
2-[(2S)-2-methylbutoxy]-4-(pyridin-4-yldiazenyl)phenol
CID 139983730
4-bromopyridine
CID 67630228
bis(3,5-dibromophenol);4-pyridin-4-ylpyridine
CID 139187304
2-bromo-5-[(4-bromo-2-chloro-5-hydroxyphenyl)methyl]-4-chlorophenol
CID 22281161
N,N-diethyl-4-[[4-(pyridin-4-yldiazenyl)phenyl]diazenyl]aniline
CID 153313292

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene?
The IUPAC name of 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene (CID 139202654) is 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene.
What is the SMILES notation for 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene?
The canonical SMILES for 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene is Oc1cc(O)c(Br)cc1Br.c1cc(/N=N/c2ccncc2)ccn1.
What is the InChIKey of 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene?
The InChIKey is FVLWSFZBIRBKDV-IERUDJENSA-N. The full InChI is InChI=1S/C10H8N4.C6H4Br2O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-3-1-4(8)6(10)2-5(3)9/h1-8H;1-2,9-10H/b14-13+;.
What are the key properties of 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene?
4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene has a molecular weight of 452.11 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromobenzene-1,3-diol;dipyridin-4-yldiazene is sourced from PubChem (CID 139202654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).