2-(2-hydroxyanilino)-6-nitrosophenol

C12H10N2O3 — CID 139980518

IUPAC2-(2-hydroxyanilino)-6-nitrosophenol
SMILESO=Nc1cccc(Nc2ccccc2O)c1O
InChIInChI=1S/C12H10N2O3/c15-11-7-2-1-4-8(11)13-9-5-3-6-10(14-17)12(9)16/h1-7,13,15-16H
InChIKeyXBBMDJSYOGOVRH-UHFFFAOYSA-N
MW230.22 g/mol
LogP3.24
Rot. Bonds3

About 2-(2-hydroxyanilino)-6-nitrosophenol

2-(2-hydroxyanilino)-6-nitrosophenol (PubChem CID 139980518) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 2-(2-hydroxyanilino)-6-nitrosophenol.

Molecular Properties

Compound Name2-(2-hydroxyanilino)-6-nitrosophenol
PubChem CID139980518
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name2-(2-hydroxyanilino)-6-nitrosophenol
SMILESO=Nc1cccc(Nc2ccccc2O)c1O
InChIInChI=1S/C12H10N2O3/c15-11-7-2-1-4-8(11)13-9-5-3-6-10(14-17)12(9)16/h1-7,13,15-16H
InChIKeyXBBMDJSYOGOVRH-UHFFFAOYSA-N
XLogP3.24
TPSA81.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyanilino)-6-nitrosophenol?
The IUPAC name of 2-(2-hydroxyanilino)-6-nitrosophenol (CID 139980518) is 2-(2-hydroxyanilino)-6-nitrosophenol.
What is the SMILES notation for 2-(2-hydroxyanilino)-6-nitrosophenol?
The canonical SMILES for 2-(2-hydroxyanilino)-6-nitrosophenol is O=Nc1cccc(Nc2ccccc2O)c1O.
What is the InChIKey of 2-(2-hydroxyanilino)-6-nitrosophenol?
The InChIKey is XBBMDJSYOGOVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c15-11-7-2-1-4-8(11)13-9-5-3-6-10(14-17)12(9)16/h1-7,13,15-16H.
What are the key properties of 2-(2-hydroxyanilino)-6-nitrosophenol?
2-(2-hydroxyanilino)-6-nitrosophenol has a molecular weight of 230.22 g/mol, XLogP of 3.24, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyanilino)-6-nitrosophenol is sourced from PubChem (CID 139980518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).