5-nitrosobenzene-1,3-diol

C6H5NO3 — CID 89060107

IUPAC5-nitrosobenzene-1,3-diol
SMILESO=Nc1cc(O)cc(O)c1
InChIInChI=1S/C6H5NO3/c8-5-1-4(7-10)2-6(9)3-5/h1-3,8-9H
InChIKeyZRNPYAJBRHFYHC-UHFFFAOYSA-N
MW139.11 g/mol
LogP1.50
Rot. Bonds1

About 5-nitrosobenzene-1,3-diol

5-nitrosobenzene-1,3-diol (PubChem CID 89060107) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 5-nitrosobenzene-1,3-diol.

Molecular Properties

Compound Name5-nitrosobenzene-1,3-diol
PubChem CID89060107
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name5-nitrosobenzene-1,3-diol
SMILESO=Nc1cc(O)cc(O)c1
InChIInChI=1S/C6H5NO3/c8-5-1-4(7-10)2-6(9)3-5/h1-3,8-9H
InChIKeyZRNPYAJBRHFYHC-UHFFFAOYSA-N
XLogP1.50
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-Nitrophenol
CID 11137
3,5-Dinitrophenol
CID 11459
5-Nitroresorcinol
CID 10627867
4-Nitrosoresorcinol
CID 120338
5-Aminobenzene-1,3-diol
CID 410751
2-Iodo-3-nitrophenol
CID 12167350
2-Fluoro-5-nitrophenol
CID 23498100
4-Fluoro-3-nitrophenol
CID 16751861
2-Iodo-5-nitrophenol
CID 18672602
3-Fluoro-5-nitrophenol
CID 269073
4-Iodo-3-nitrophenol
CID 2733454
3-Hydroxyaminophenol
CID 5460445

Frequently Asked Questions

What is the IUPAC name of 5-nitrosobenzene-1,3-diol?
The IUPAC name of 5-nitrosobenzene-1,3-diol (CID 89060107) is 5-nitrosobenzene-1,3-diol.
What is the SMILES notation for 5-nitrosobenzene-1,3-diol?
The canonical SMILES for 5-nitrosobenzene-1,3-diol is O=Nc1cc(O)cc(O)c1.
What is the InChIKey of 5-nitrosobenzene-1,3-diol?
The InChIKey is ZRNPYAJBRHFYHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c8-5-1-4(7-10)2-6(9)3-5/h1-3,8-9H.
What are the key properties of 5-nitrosobenzene-1,3-diol?
5-nitrosobenzene-1,3-diol has a molecular weight of 139.11 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrosobenzene-1,3-diol is sourced from PubChem (CID 89060107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).