2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide

C8H10N2O3 — CID 57270874

IUPAC2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1ccc(O)cc1O)=NO
InChIInChI=1S/C8H10N2O3/c9-8(10-13)3-5-1-2-6(11)4-7(5)12/h1-2,4,11-13H,3H2,(H2,9,10)
InChIKeyUOJWACWZJJUDSA-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.39
Rot. Bonds2

About 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide

2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide (PubChem CID 57270874) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide
PubChem CID57270874
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide
SMILESNC(Cc1ccc(O)cc1O)=NO
InChIInChI=1S/C8H10N2O3/c9-8(10-13)3-5-1-2-6(11)4-7(5)12/h1-2,4,11-13H,3H2,(H2,9,10)
InChIKeyUOJWACWZJJUDSA-UHFFFAOYSA-N
XLogP0.39
TPSA99.07 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(sulfanylmethyl)benzene-1,3-diol
CID 57214402
2-(4-fluoro-2-methylphenyl)-N'-hydroxyethanimidamide
CID 114345876
2-(4-bromo-2-fluorophenyl)-N'-hydroxyethanimidamide
CID 14677832
N'-hydroxy-2-(6-hydroxy-1-benzofuran-5-yl)ethanimidamide
CID 83882664
4-(fluoromethyl)benzene-1,3-diol
CID 91883667
4-ethylbenzene-1,3-diol
CID 17927
4-(2-aminoethyl)benzene-1,3-diol;hydrochloride
CID 50988720
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
N-[(4Z)-4-amino-4-hydroxyiminobutan-2-yl]-2,4-dihydroxybenzamide
CID 107725624
4-[2-(aminomethyl)buta-2,3-dienyl]benzene-1,3-diol
CID 19894434
ethane;4-(fluoromethyl)benzene-1,3-diol
CID 172565118

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide?
The IUPAC name of 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide (CID 57270874) is 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide?
The canonical SMILES for 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide is NC(Cc1ccc(O)cc1O)=NO.
What is the InChIKey of 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide?
The InChIKey is UOJWACWZJJUDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c9-8(10-13)3-5-1-2-6(11)4-7(5)12/h1-2,4,11-13H,3H2,(H2,9,10).
What are the key properties of 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide?
2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide has a molecular weight of 182.18 g/mol, XLogP of 0.39, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dihydroxyphenyl)-N'-hydroxyethanimidamide is sourced from PubChem (CID 57270874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).