6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron

C10H7FeNO5S — CID 175582411

IUPAC6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
SMILESO=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12.[Fe]
InChIInChI=1S/C10H7NO5S.Fe/c12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;/h1-5,12H,(H,14,15,16);
InChIKeyNYKYDFGMWHHOBC-UHFFFAOYSA-N
MW309.08 g/mol
LogP2.19
Rot. Bonds2

About 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron

6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron (PubChem CID 175582411) has the molecular formula C10H7FeNO5S and a molecular weight of 309.08 g/mol. Its IUPAC name is 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron.

Molecular Properties

Compound Name6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
PubChem CID175582411
Molecular FormulaC10H7FeNO5S
Molecular Weight309.08 g/mol
Exact Mass308.94
IUPAC Name6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron
SMILESO=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12.[Fe]
InChIInChI=1S/C10H7NO5S.Fe/c12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;/h1-5,12H,(H,14,15,16);
InChIKeyNYKYDFGMWHHOBC-UHFFFAOYSA-N
XLogP2.19
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.08
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-nitrosonaphthalene-2,7-disulfonic acid;hydrate
CID 155168760
6-hydroxy-5-nitrosonaphthalene-1,3-disulfonic acid
CID 23422917
6-hydroxy-5-[(3-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 16869
CID 170839374
CID 170839374
CID 170850429
CID 170850429
2-NITROSO-1-NAPHTHOL-3,6-DISULFONIC ACID, DISODIUM SALT
CID 126959684
SODIUM 5-(4-CL-PH-AZO)-6-HO-NAPHTHALENE-2-SULFONATE(ACID ORANGE 31 C.I. 15995)
CID 137228287
sodium 4-[[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]phenyl]diazenyl]benzenesulfonate
CID 136502141
6-hydroxy-5-[(2-sulfophenyl)diazenyl]naphthalene-2-sulfonic acid
CID 135467867
CID 137221884
CID 137221884
CID 137235039
CID 137235039
CID 137221760
CID 137221760

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron?
The IUPAC name of 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron (CID 175582411) is 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron.
What is the SMILES notation for 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron?
The canonical SMILES for 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron is O=Nc1c(O)ccc2cc(S(=O)(=O)O)ccc12.[Fe].
What is the InChIKey of 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron?
The InChIKey is NYKYDFGMWHHOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO5S.Fe/c12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13;/h1-5,12H,(H,14,15,16);.
What are the key properties of 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron?
6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron has a molecular weight of 309.08 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-nitrosonaphthalene-2-sulfonic acid;iron is sourced from PubChem (CID 175582411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).