sodium;hydride;2,3,4,5,6-pentabromophenol

C6H2Br5NaO — CID 173454659

IUPACsodium;hydride;2,3,4,5,6-pentabromophenol
SMILESOc1c(Br)c(Br)c(Br)c(Br)c1Br.[H-].[Na+]
InChIInChI=1S/C6HBr5O.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h12H;;/q;+1;-1
InChIKeyXOHLAFNMZVKFGX-UHFFFAOYSA-N
MW512.59 g/mol
LogP2.32
Rot. Bonds

About sodium;hydride;2,3,4,5,6-pentabromophenol

sodium;hydride;2,3,4,5,6-pentabromophenol (PubChem CID 173454659) has the molecular formula C6H2Br5NaO and a molecular weight of 512.59 g/mol. Its IUPAC name is sodium;hydride;2,3,4,5,6-pentabromophenol.

Molecular Properties

Compound Namesodium;hydride;2,3,4,5,6-pentabromophenol
PubChem CID173454659
Molecular FormulaC6H2Br5NaO
Molecular Weight512.59 g/mol
Exact Mass507.59
IUPAC Namesodium;hydride;2,3,4,5,6-pentabromophenol
SMILESOc1c(Br)c(Br)c(Br)c(Br)c1Br.[H-].[Na+]
InChIInChI=1S/C6HBr5O.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h12H;;/q;+1;-1
InChIKeyXOHLAFNMZVKFGX-UHFFFAOYSA-N
XLogP2.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.59
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4,5,6-tribromo-2-methylbenzene-1,3-diol
CID 21041923
3,6-dibromobenzene-1,2,4,5-tetrol
CID 15809266
2,3,4,5-tetrabromo-6-chlorophenol
CID 13119824
2,3,4,5,6-pentabromophenol;prop-2-enoic acid
CID 175040485
2,3,4-tribromo-5,6-difluorophenol
CID 86243413
2,6-dibromo-3,5-dimethylphenol
CID 10660357
3-bromo-4,5,6-trimethylbenzene-1,2-diol;4-bromo-3,5,6-trimethylbenzene-1,2-diol;2,4-dibromo-5,6-dimethylbenzene-1,3-diol;2,5-dibromo-4,6-dimethylbenzene-1,3-diol;3,4-dibromo-5,6-dimethylbenzene-1,2-diol;3,5-dibromo-4,6-dimethylbenzene-1,2-diol;3,6-dibromo-4,5-dimethylbenzene-1,2-diol;bis(4,5-dibromo-2,6-dimethylbenzene-1,3-diol);4,5-dibromo-3,6-dimethylbenzene-1,2-diol;4,6-dibromo-2,5-dimethylbenzene-1,3-diol;3,4,5,6-tetramethylbenzene-1,2-diol;bis(2,4,5-tribromo-6-methylbenzene-1,3-diol);2,4,6-tribromo-5-methylbenzene-1,3-diol;3,4,5-tribromo-6-methylbenzene-1,2-diol;3,4,6-tribromo-5-methylbenzene-1,2-diol;4,5,6-tribromo-2-methylbenzene-1,3-diol
CID 159497405
2,3,4,5-tetrabromo-6-(2,3-dibromo-6-hydroxyphenyl)phenol
CID 54436904
CID 145193789
CID 145193789
3,4,5-tribromo-2-chloro-6-methylphenol
CID 3019825
3,4-dibromo-5-methylbenzene-1,2-diol
CID 54013220
sodium 3,4,5,6-tetrabromophthalic acid
CID 54607028

Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2,3,4,5,6-pentabromophenol?
The IUPAC name of sodium;hydride;2,3,4,5,6-pentabromophenol (CID 173454659) is sodium;hydride;2,3,4,5,6-pentabromophenol.
What is the SMILES notation for sodium;hydride;2,3,4,5,6-pentabromophenol?
The canonical SMILES for sodium;hydride;2,3,4,5,6-pentabromophenol is Oc1c(Br)c(Br)c(Br)c(Br)c1Br.[H-].[Na+].
What is the InChIKey of sodium;hydride;2,3,4,5,6-pentabromophenol?
The InChIKey is XOHLAFNMZVKFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HBr5O.Na.H/c7-1-2(8)4(10)6(12)5(11)3(1)9;;/h12H;;/q;+1;-1.
What are the key properties of sodium;hydride;2,3,4,5,6-pentabromophenol?
sodium;hydride;2,3,4,5,6-pentabromophenol has a molecular weight of 512.59 g/mol, XLogP of 2.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2,3,4,5,6-pentabromophenol is sourced from PubChem (CID 173454659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).