bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide

C7H6BiIO6 — CID 54682471

IUPACbismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3].[I-].[OH-]
InChIInChI=1S/C7H6O5.Bi.HI.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;1H;1H2/q;+3;;/p-3
InChIKeyUODGKBVALXDDPO-UHFFFAOYSA-K
MW522.00 g/mol
LogP-3.68
Rot. Bonds1

About bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide

bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide (PubChem CID 54682471) has the molecular formula C7H6BiIO6 and a molecular weight of 522.00 g/mol. Its IUPAC name is bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide.

Molecular Properties

Compound Namebismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
PubChem CID54682471
Molecular FormulaC7H6BiIO6
Molecular Weight522.00 g/mol
Exact Mass521.90
IUPAC Namebismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide
SMILESO=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3].[I-].[OH-]
InChIInChI=1S/C7H6O5.Bi.HI.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;1H;1H2/q;+3;;/p-3
InChIKeyUODGKBVALXDDPO-UHFFFAOYSA-K
XLogP-3.68
TPSA130.82 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.00
LogP ≤ 5-3.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bismuth 4-carboxy-2,6-dihydroxyphenolate
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tetrakis(4-carboxy-2,6-dihydroxyphenolate);tin(4+)
CID 175913194
trisodium;tris(4-carboxy-2,6-dihydroxyphenolate)
CID 139835133
hexakis(4-carboxy-2,6-dihydroxyphenolate);gadolinium(3+);scandium(3+)
CID 173410095
4-carboxy-2,6-dihydroxyphenolate;trimethylazanium;chloride
CID 174633129
4-carboxy-2-(5-carboxy-3-hydroxy-2-oxidophenyl)-6-hydroxyphenolate
CID 54750826
4-carboxy-2,6-dihydroxyphenolate;tetraethylazanium
CID 54723196
4-carboxy-2,6-dihydroxyphenolate;piperazin-1-ium
CID 87904175
bismuth;5-carboxybenzene-1,2,3-triolate;molecular hydrogen;bis(3,4,5-trihydroxybenzoic acid)
CID 170844576
3,4,5-trihydroxybenzoic acid
CID 370
lithium 5-carboxy-2,3-dihydroxyphenolate
CID 102269214

Frequently Asked Questions

What is the IUPAC name of bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide?
The IUPAC name of bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide (CID 54682471) is bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide.
What is the SMILES notation for bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide?
The canonical SMILES for bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide is O=C(O)c1cc(O)c([O-])c(O)c1.[Bi+3].[I-].[OH-].
What is the InChIKey of bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide?
The InChIKey is UODGKBVALXDDPO-UHFFFAOYSA-K. The full InChI is InChI=1S/C7H6O5.Bi.HI.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;1H;1H2/q;+3;;/p-3.
What are the key properties of bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide?
bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide has a molecular weight of 522.00 g/mol, XLogP of -3.68, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bismuth;4-carboxy-2,6-dihydroxyphenolate;hydroxide;iodide is sourced from PubChem (CID 54682471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).