sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron

C21H15FeN3NaO9+ — CID 90473210

IUPACsodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron
SMILESO=Cc1ccc(O)c(N=O)c1.O=Cc1ccc(O)c(N=O)c1.O=Cc1ccc(O)cc1N=O.[Fe].[Na+]
InChIInChI=1S/3C7H5NO3.Fe.Na/c9-4-5-1-2-6(10)3-7(5)8-11;2*9-4-5-1-2-7(10)6(3-5)8-11;;/h3*1-4,10H;;/q;;;;+1
InChIKeySDLAWGQZIZEQAD-UHFFFAOYSA-N
MW532.20 g/mol
LogP1.81
Rot. Bonds6

About sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron

sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron (PubChem CID 90473210) has the molecular formula C21H15FeN3NaO9+ and a molecular weight of 532.20 g/mol. Its IUPAC name is sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron.

Molecular Properties

Compound Namesodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron
PubChem CID90473210
Molecular FormulaC21H15FeN3NaO9+
Molecular Weight532.20 g/mol
Exact Mass532.00
IUPAC Namesodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron
SMILESO=Cc1ccc(O)c(N=O)c1.O=Cc1ccc(O)c(N=O)c1.O=Cc1ccc(O)cc1N=O.[Fe].[Na+]
InChIInChI=1S/3C7H5NO3.Fe.Na/c9-4-5-1-2-6(10)3-7(5)8-11;2*9-4-5-1-2-7(10)6(3-5)8-11;;/h3*1-4,10H;;/q;;;;+1
InChIKeySDLAWGQZIZEQAD-UHFFFAOYSA-N
XLogP1.81
TPSA200.19 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.20
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron?
The IUPAC name of sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron (CID 90473210) is sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron.
What is the SMILES notation for sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron?
The canonical SMILES for sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron is O=Cc1ccc(O)c(N=O)c1.O=Cc1ccc(O)c(N=O)c1.O=Cc1ccc(O)cc1N=O.[Fe].[Na+].
What is the InChIKey of sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron?
The InChIKey is SDLAWGQZIZEQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H5NO3.Fe.Na/c9-4-5-1-2-6(10)3-7(5)8-11;2*9-4-5-1-2-7(10)6(3-5)8-11;;/h3*1-4,10H;;/q;;;;+1.
What are the key properties of sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron?
sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron has a molecular weight of 532.20 g/mol, XLogP of 1.81, 6 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;4-hydroxy-2-nitrosobenzaldehyde;bis(4-hydroxy-3-nitrosobenzaldehyde);iron is sourced from PubChem (CID 90473210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).