sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate

C10H7INNaO7S — CID 23696930

IUPACsodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate
SMILESO=C(O)O.O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+]
InChIInChI=1S/C9H6INO4S.CH2O3.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;2-1(3)4;/h1-4,12H,(H,13,14,15);(H2,2,3,4);/q;;+1/p-1
InChIKeyFNXKBSAUKFCXIK-UHFFFAOYSA-M
MW435.13 g/mol
LogP-1.32
Rot. Bonds1

About sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate

sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate (PubChem CID 23696930) has the molecular formula C10H7INNaO7S and a molecular weight of 435.13 g/mol. Its IUPAC name is sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate.

Molecular Properties

Compound Namesodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate
PubChem CID23696930
Molecular FormulaC10H7INNaO7S
Molecular Weight435.13 g/mol
Exact Mass434.89
IUPAC Namesodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate
SMILESO=C(O)O.O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+]
InChIInChI=1S/C9H6INO4S.CH2O3.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;2-1(3)4;/h1-4,12H,(H,13,14,15);(H2,2,3,4);/q;;+1/p-1
InChIKeyFNXKBSAUKFCXIK-UHFFFAOYSA-M
XLogP-1.32
TPSA147.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.13
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate?
The IUPAC name of sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate (CID 23696930) is sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate.
What is the SMILES notation for sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate?
The canonical SMILES for sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate is O=C(O)O.O=S(=O)([O-])c1cc(I)c(O)c2ncccc12.[Na+].
What is the InChIKey of sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate?
The InChIKey is FNXKBSAUKFCXIK-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H6INO4S.CH2O3.Na/c10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12;2-1(3)4;/h1-4,12H,(H,13,14,15);(H2,2,3,4);/q;;+1/p-1.
What are the key properties of sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate?
sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate has a molecular weight of 435.13 g/mol, XLogP of -1.32, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;carbonic acid;8-hydroxy-7-iodoquinoline-5-sulfonate is sourced from PubChem (CID 23696930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).