2-amino-4-nitrophenol;ethanol

C8H12N2O4 — CID 174857010

IUPAC2-amino-4-nitrophenol;ethanol
SMILESCCO.Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C6H6N2O3.C2H6O/c7-5-3-4(8(10)11)1-2-6(5)9;1-2-3/h1-3,9H,7H2;3H,2H2,1H3
InChIKeyCNWNAZTYXRXFLF-UHFFFAOYSA-N
MW200.19 g/mol
LogP0.88
Rot. Bonds1

About 2-amino-4-nitrophenol;ethanol

2-amino-4-nitrophenol;ethanol (PubChem CID 174857010) has the molecular formula C8H12N2O4 and a molecular weight of 200.19 g/mol. Its IUPAC name is 2-amino-4-nitrophenol;ethanol.

Molecular Properties

Compound Name2-amino-4-nitrophenol;ethanol
PubChem CID174857010
Molecular FormulaC8H12N2O4
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name2-amino-4-nitrophenol;ethanol
SMILESCCO.Nc1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C6H6N2O3.C2H6O/c7-5-3-4(8(10)11)1-2-6(5)9;1-2-3/h1-3,9H,7H2;3H,2H2,1H3
InChIKeyCNWNAZTYXRXFLF-UHFFFAOYSA-N
XLogP0.88
TPSA109.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-nitrophenol;ethanol 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-(hydroxymethyl)-4-nitrophenol;propane
CID 142101153
2-amino-4-nitrophenol;1H-pyrazole
CID 174791393
2-ethyl-4-nitrophenol;2-(hydroxymethyl)-4-nitrophenol;methane
CID 157342719
2-ethyl-5-nitrophenol
CID 18980077
ethane;2-(2-hydroxy-5-nitrophenyl)-4-nitrophenol
CID 174888100
(2-hydroxy-5-nitrophenyl)methylphosphanium bromide
CID 158775878
2-(aminomethyl)-4-nitrophenol
CID 2115073
3-(2-amino-4-nitrophenyl)sulfanyl-2-methylpropan-1-ol
CID 66105283
4-nitro-2-propylaniline
CID 21492038
1-(2-hydroxy-5-nitrophenyl)ethanethione
CID 136728864
2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-butylsulfanyl-5-nitroaniline
CID 62508477

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-nitrophenol;ethanol?
The IUPAC name of 2-amino-4-nitrophenol;ethanol (CID 174857010) is 2-amino-4-nitrophenol;ethanol.
What is the SMILES notation for 2-amino-4-nitrophenol;ethanol?
The canonical SMILES for 2-amino-4-nitrophenol;ethanol is CCO.Nc1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-amino-4-nitrophenol;ethanol?
The InChIKey is CNWNAZTYXRXFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.C2H6O/c7-5-3-4(8(10)11)1-2-6(5)9;1-2-3/h1-3,9H,7H2;3H,2H2,1H3.
What are the key properties of 2-amino-4-nitrophenol;ethanol?
2-amino-4-nitrophenol;ethanol has a molecular weight of 200.19 g/mol, XLogP of 0.88, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-nitrophenol;ethanol is sourced from PubChem (CID 174857010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).