2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde

C10H12INO3Si — CID 88919840

IUPAC2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde
SMILESC[Si](C)(C)c1c(I)cc(C=O)c(O)c1N=O
InChIInChI=1S/C10H12INO3Si/c1-16(2,3)10-7(11)4-6(5-13)9(14)8(10)12-15/h4-5,14H,1-3H3
InChIKeyJCSSNWGMJBLIMJ-UHFFFAOYSA-N
MW349.20 g/mol
LogP2.75
Rot. Bonds3

About 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde

2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde (PubChem CID 88919840) has the molecular formula C10H12INO3Si and a molecular weight of 349.20 g/mol. Its IUPAC name is 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde
PubChem CID88919840
Molecular FormulaC10H12INO3Si
Molecular Weight349.20 g/mol
Exact Mass348.96
IUPAC Name2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde
SMILESC[Si](C)(C)c1c(I)cc(C=O)c(O)c1N=O
InChIInChI=1S/C10H12INO3Si/c1-16(2,3)10-7(11)4-6(5-13)9(14)8(10)12-15/h4-5,14H,1-3H3
InChIKeyJCSSNWGMJBLIMJ-UHFFFAOYSA-N
XLogP2.75
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde?
The IUPAC name of 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde (CID 88919840) is 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde.
What is the SMILES notation for 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde?
The canonical SMILES for 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde is C[Si](C)(C)c1c(I)cc(C=O)c(O)c1N=O.
What is the InChIKey of 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde?
The InChIKey is JCSSNWGMJBLIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO3Si/c1-16(2,3)10-7(11)4-6(5-13)9(14)8(10)12-15/h4-5,14H,1-3H3.
What are the key properties of 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde?
2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde has a molecular weight of 349.20 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-iodo-3-nitroso-4-trimethylsilylbenzaldehyde is sourced from PubChem (CID 88919840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).