2-[(hydroxyamino)methyl]benzene-1,3-diol

C7H9NO3 — CID 117276038

IUPAC2-[(hydroxyamino)methyl]benzene-1,3-diol
SMILESONCc1c(O)cccc1O
InChIInChI=1S/C7H9NO3/c9-6-2-1-3-7(10)5(6)4-8-11/h1-3,8-11H,4H2
InChIKeyLBDKOCPDGNZILU-UHFFFAOYSA-N
MW155.15 g/mol
LogP0.58
Rot. Bonds2

About 2-[(hydroxyamino)methyl]benzene-1,3-diol

2-[(hydroxyamino)methyl]benzene-1,3-diol (PubChem CID 117276038) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 2-[(hydroxyamino)methyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[(hydroxyamino)methyl]benzene-1,3-diol
PubChem CID117276038
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name2-[(hydroxyamino)methyl]benzene-1,3-diol
SMILESONCc1c(O)cccc1O
InChIInChI=1S/C7H9NO3/c9-6-2-1-3-7(10)5(6)4-8-11/h1-3,8-11H,4H2
InChIKeyLBDKOCPDGNZILU-UHFFFAOYSA-N
XLogP0.58
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 50.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(hydroxyamino)methyl]benzene-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-3-[(hydroxyamino)methyl]benzene-1,4-diol
CID 84766359
3-chloro-2-[(hydroxyamino)methyl]-4-methoxyphenol
CID 84777573
2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
CID 117276695
2-[(pyridin-2-ylamino)methyl]benzene-1,3-diol
CID 45093433
3-bromo-2-(methylaminomethyl)phenol
CID 84734958
3-chloro-2-[(2,2,2-trifluoroethylamino)methyl]phenol
CID 114317858
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
3-fluoro-2-[(hydroxyamino)methyl]-6-methylphenol
CID 117276872
N-[(3-bromo-2-ethylphenyl)methyl]hydroxylamine
CID 143634840
5-chloro-4-fluoro-3-[(hydroxyamino)methyl]benzene-1,2-diol
CID 117296925
3-methyl-2-(propylaminomethyl)phenol
CID 142457021
2,3-bis(fluoromethyl)phenol
CID 139649900

Frequently Asked Questions

What is the IUPAC name of 2-[(hydroxyamino)methyl]benzene-1,3-diol?
The IUPAC name of 2-[(hydroxyamino)methyl]benzene-1,3-diol (CID 117276038) is 2-[(hydroxyamino)methyl]benzene-1,3-diol.
What is the SMILES notation for 2-[(hydroxyamino)methyl]benzene-1,3-diol?
The canonical SMILES for 2-[(hydroxyamino)methyl]benzene-1,3-diol is ONCc1c(O)cccc1O.
What is the InChIKey of 2-[(hydroxyamino)methyl]benzene-1,3-diol?
The InChIKey is LBDKOCPDGNZILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c9-6-2-1-3-7(10)5(6)4-8-11/h1-3,8-11H,4H2.
What are the key properties of 2-[(hydroxyamino)methyl]benzene-1,3-diol?
2-[(hydroxyamino)methyl]benzene-1,3-diol has a molecular weight of 155.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(hydroxyamino)methyl]benzene-1,3-diol is sourced from PubChem (CID 117276038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).