1-(2-amino-5-nitrophenyl)ethane-1,2-diol

C8H10N2O4 — CID 11321550

IUPAC1-(2-amino-5-nitrophenyl)ethane-1,2-diol
SMILESNc1ccc([N+](=O)[O-])cc1C(O)CO
InChIInChI=1S/C8H10N2O4/c9-7-2-1-5(10(13)14)3-6(7)8(12)4-11/h1-3,8,11-12H,4,9H2
InChIKeyGWUXOVIUURFQGH-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.20
Rot. Bonds3

About 1-(2-amino-5-nitrophenyl)ethane-1,2-diol

1-(2-amino-5-nitrophenyl)ethane-1,2-diol (PubChem CID 11321550) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 1-(2-amino-5-nitrophenyl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(2-amino-5-nitrophenyl)ethane-1,2-diol
PubChem CID11321550
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name1-(2-amino-5-nitrophenyl)ethane-1,2-diol
SMILESNc1ccc([N+](=O)[O-])cc1C(O)CO
InChIInChI=1S/C8H10N2O4/c9-7-2-1-5(10(13)14)3-6(7)8(12)4-11/h1-3,8,11-12H,4,9H2
InChIKeyGWUXOVIUURFQGH-UHFFFAOYSA-N
XLogP0.20
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-amino-5-nitrophenyl)butane-1,2,4-triol
CID 171872682
4-amino-1-(2-amino-5-nitrophenyl)butane-1,2-diol
CID 171881639
4-nitro-2-(1-phosphanylpropyl)aniline
CID 142027956
2-(2,5-dinitrophenyl)propan-1-ol
CID 22708683
(2R)-2-amino-2-(2-fluoro-4-nitrophenyl)ethanol
CID 66514219
2-amino-4-nitrophenol;ethanol
CID 174857010
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4-nitrophenol
CID 131546874
3-(2-amino-4-nitrophenyl)sulfanyl-2-methylpropan-1-ol
CID 66105283
2-[(1R)-1-amino-4-hydroxybutyl]-4-nitrophenol
CID 165349921
bis((2-amino-4-nitrophenyl)azanium) dichloride
CID 139061859
1-(2-amino-5-nitrophenoxy)ethanol
CID 70496099
3-(2-amino-4-nitrophenyl)prop-2-en-1-ol
CID 169453618

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-nitrophenyl)ethane-1,2-diol?
The IUPAC name of 1-(2-amino-5-nitrophenyl)ethane-1,2-diol (CID 11321550) is 1-(2-amino-5-nitrophenyl)ethane-1,2-diol.
What is the SMILES notation for 1-(2-amino-5-nitrophenyl)ethane-1,2-diol?
The canonical SMILES for 1-(2-amino-5-nitrophenyl)ethane-1,2-diol is Nc1ccc([N+](=O)[O-])cc1C(O)CO.
What is the InChIKey of 1-(2-amino-5-nitrophenyl)ethane-1,2-diol?
The InChIKey is GWUXOVIUURFQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-7-2-1-5(10(13)14)3-6(7)8(12)4-11/h1-3,8,11-12H,4,9H2.
What are the key properties of 1-(2-amino-5-nitrophenyl)ethane-1,2-diol?
1-(2-amino-5-nitrophenyl)ethane-1,2-diol has a molecular weight of 198.18 g/mol, XLogP of 0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-nitrophenyl)ethane-1,2-diol is sourced from PubChem (CID 11321550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).