6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol

C7H8ClNO4 — CID 117294298

IUPAC6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol
SMILESNOCc1c(O)c(O)cc(O)c1Cl
InChIInChI=1S/C7H8ClNO4/c8-6-3(2-13-9)7(12)5(11)1-4(6)10/h1,10-12H,2,9H2
InChIKeyOGIHCBHKLCVRHS-UHFFFAOYSA-N
MW205.60 g/mol
LogP0.85
Rot. Bonds2

About 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol

6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol (PubChem CID 117294298) has the molecular formula C7H8ClNO4 and a molecular weight of 205.60 g/mol. Its IUPAC name is 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol.

Molecular Properties

Compound Name6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol
PubChem CID117294298
Molecular FormulaC7H8ClNO4
Molecular Weight205.60 g/mol
Exact Mass205.01
IUPAC Name6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol
SMILESNOCc1c(O)c(O)cc(O)c1Cl
InChIInChI=1S/C7H8ClNO4/c8-6-3(2-13-9)7(12)5(11)1-4(6)10/h1,10-12H,2,9H2
InChIKeyOGIHCBHKLCVRHS-UHFFFAOYSA-N
XLogP0.85
TPSA95.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(aminooxymethyl)-5-bromo-4-fluorobenzene-1,2-diol
CID 117382990
2-(aminooxymethyl)-3-chloro-6-fluorophenol
CID 117282772
6-[(E)-3-aminoprop-1-enyl]-5-chlorobenzene-1,2,4-triol
CID 117307221
5-(aminooxymethyl)-2-chlorophenol;hydrochloride
CID 172820191
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
CID 84788306
4-(aminooxymethyl)-2-chloro-6-methylphenol
CID 117280928
2-(aminooxymethyl)-4,6-difluorophenol
CID 117277154
2-(aminooxymethyl)-6-chlorophenol
CID 117277054
4-(2-aminopropyl)-3-chloro-5-methylbenzene-1,2-diol
CID 117307437
2-(2-aminoethyl)-6-chloro-3,5-dimethylphenol
CID 84669167
2-(2-aminooxyethyl)-4-chlorophenol
CID 117280923
6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol
CID 117361092

Frequently Asked Questions

What is the IUPAC name of 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol?
The IUPAC name of 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol (CID 117294298) is 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol.
What is the SMILES notation for 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol?
The canonical SMILES for 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol is NOCc1c(O)c(O)cc(O)c1Cl.
What is the InChIKey of 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol?
The InChIKey is OGIHCBHKLCVRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO4/c8-6-3(2-13-9)7(12)5(11)1-4(6)10/h1,10-12H,2,9H2.
What are the key properties of 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol?
6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol has a molecular weight of 205.60 g/mol, XLogP of 0.85, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminooxymethyl)-5-chlorobenzene-1,2,4-triol is sourced from PubChem (CID 117294298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).