3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol

C7H8ClNO3 — CID 117281678

IUPAC3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
SMILESONCc1ccc(Cl)c(O)c1O
InChIInChI=1S/C7H8ClNO3/c8-5-2-1-4(3-9-12)6(10)7(5)11/h1-2,9-12H,3H2
InChIKeyGPHPUYHFXWUMBT-UHFFFAOYSA-N
MW189.60 g/mol
LogP1.23
Rot. Bonds2

About 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol

3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol (PubChem CID 117281678) has the molecular formula C7H8ClNO3 and a molecular weight of 189.60 g/mol. Its IUPAC name is 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol.

Molecular Properties

Compound Name3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
PubChem CID117281678
Molecular FormulaC7H8ClNO3
Molecular Weight189.60 g/mol
Exact Mass189.02
IUPAC Name3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol
SMILESONCc1ccc(Cl)c(O)c1O
InChIInChI=1S/C7H8ClNO3/c8-5-2-1-4(3-9-12)6(10)7(5)11/h1-2,9-12H,3H2
InChIKeyGPHPUYHFXWUMBT-UHFFFAOYSA-N
XLogP1.23
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.60
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-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

3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
CID 84804289
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
3-chloro-6-(2-hydroxypropyl)benzene-1,2-diol
CID 117291165
N-[(4-chloro-2-methoxy-3-methylphenyl)methyl]hydroxylamine
CID 143635325
2-chloro-6-[(hydroxyamino)methyl]-4-methoxyphenol
CID 117292196
2-[(hydroxyamino)methyl]-6-(hydroxymethyl)phenol
CID 117276695
3-chloro-6-(piperazin-1-ylmethyl)benzene-1,2-diol
CID 117358874
N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-9-yl)methyl]hydroxylamine
CID 117331335
2,6-difluoro-3-[(hydroxyamino)methyl]phenol
CID 117277165
N-[(2-chloro-5-methylsulfanylphenyl)methyl]hydroxylamine
CID 117292277
N-[(6-chloro-2,3-dimethylphenyl)methyl]hydroxylamine
CID 117280314
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol?
The IUPAC name of 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol (CID 117281678) is 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol.
What is the SMILES notation for 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol?
The canonical SMILES for 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol is ONCc1ccc(Cl)c(O)c1O.
What is the InChIKey of 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol?
The InChIKey is GPHPUYHFXWUMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO3/c8-5-2-1-4(3-9-12)6(10)7(5)11/h1-2,9-12H,3H2.
What are the key properties of 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol?
3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol has a molecular weight of 189.60 g/mol, XLogP of 1.23, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[(hydroxyamino)methyl]benzene-1,2-diol is sourced from PubChem (CID 117281678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).