2-hydroxy-4-nitrosobenzaldehyde

C7H5NO3 — CID 88927405

IUPAC2-hydroxy-4-nitrosobenzaldehyde
SMILESO=Cc1ccc(N=O)cc1O
InChIInChI=1S/C7H5NO3/c9-4-5-1-2-6(8-11)3-7(5)10/h1-4,10H
InChIKeyPXQFDWJQHTZLHM-UHFFFAOYSA-N
MW151.12 g/mol
LogP1.60
Rot. Bonds2

About 2-hydroxy-4-nitrosobenzaldehyde

2-hydroxy-4-nitrosobenzaldehyde (PubChem CID 88927405) has the molecular formula C7H5NO3 and a molecular weight of 151.12 g/mol. Its IUPAC name is 2-hydroxy-4-nitrosobenzaldehyde.

Molecular Properties

Compound Name2-hydroxy-4-nitrosobenzaldehyde
PubChem CID88927405
Molecular FormulaC7H5NO3
Molecular Weight151.12 g/mol
Exact Mass151.03
IUPAC Name2-hydroxy-4-nitrosobenzaldehyde
SMILESO=Cc1ccc(N=O)cc1O
InChIInChI=1S/C7H5NO3/c9-4-5-1-2-6(8-11)3-7(5)10/h1-4,10H
InChIKeyPXQFDWJQHTZLHM-UHFFFAOYSA-N
XLogP1.60
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.12
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-nitrosobenzaldehyde?
The IUPAC name of 2-hydroxy-4-nitrosobenzaldehyde (CID 88927405) is 2-hydroxy-4-nitrosobenzaldehyde.
What is the SMILES notation for 2-hydroxy-4-nitrosobenzaldehyde?
The canonical SMILES for 2-hydroxy-4-nitrosobenzaldehyde is O=Cc1ccc(N=O)cc1O.
What is the InChIKey of 2-hydroxy-4-nitrosobenzaldehyde?
The InChIKey is PXQFDWJQHTZLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NO3/c9-4-5-1-2-6(8-11)3-7(5)10/h1-4,10H.
What are the key properties of 2-hydroxy-4-nitrosobenzaldehyde?
2-hydroxy-4-nitrosobenzaldehyde has a molecular weight of 151.12 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-nitrosobenzaldehyde is sourced from PubChem (CID 88927405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).