3-amino-4-nitrophenol;ethane

C8H12N2O3 — CID 142035460

IUPAC3-amino-4-nitrophenol;ethane
SMILESCC.Nc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3.C2H6/c7-5-3-4(9)1-2-6(5)8(10)11;1-2/h1-3,9H,7H2;1-2H3
InChIKeyKXJOGIOUODRHIL-UHFFFAOYSA-N
MW184.19 g/mol
LogP1.91
Rot. Bonds1

About 3-amino-4-nitrophenol;ethane

3-amino-4-nitrophenol;ethane (PubChem CID 142035460) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-amino-4-nitrophenol;ethane.

Molecular Properties

Compound Name3-amino-4-nitrophenol;ethane
PubChem CID142035460
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-amino-4-nitrophenol;ethane
SMILESCC.Nc1cc(O)ccc1[N+](=O)[O-]
InChIInChI=1S/C6H6N2O3.C2H6/c7-5-3-4(9)1-2-6(5)8(10)11;1-2/h1-3,9H,7H2;1-2H3
InChIKeyKXJOGIOUODRHIL-UHFFFAOYSA-N
XLogP1.91
TPSA89.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-amino-3-ethylphenol;3-ethyl-4-nitrophenol
CID 159911548
4-amino-3-nitrophenol;3,4-dihydroxycyclobut-3-ene-1,2-dione
CID 154809804
N,N-diethylethanamine;3,4-dinitrophenol
CID 71360717
(5-hydroxy-2-nitrophenyl)mercury
CID 67545657
4-nitro-3-sulfanylphenol
CID 91873870
4-methyl-3-nitrophenol
CID 16271
5-(bromomethyl)-2-nitroaniline
CID 91281437
(3-amino-4-nitrophenyl)methyl acetate
CID 139087347
5-bromo-2-nitroaniline;methane
CID 139511978
5-[(3-amino-4-nitrophenyl)methyl]-2-nitroaniline
CID 19107234
1-(3-amino-N-methyl-4-nitroanilino)propan-2-ol
CID 106751642
4-hydroxy-2-nitrophenolate
CID 36690956

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-nitrophenol;ethane?
The IUPAC name of 3-amino-4-nitrophenol;ethane (CID 142035460) is 3-amino-4-nitrophenol;ethane.
What is the SMILES notation for 3-amino-4-nitrophenol;ethane?
The canonical SMILES for 3-amino-4-nitrophenol;ethane is CC.Nc1cc(O)ccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-4-nitrophenol;ethane?
The InChIKey is KXJOGIOUODRHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.C2H6/c7-5-3-4(9)1-2-6(5)8(10)11;1-2/h1-3,9H,7H2;1-2H3.
What are the key properties of 3-amino-4-nitrophenol;ethane?
3-amino-4-nitrophenol;ethane has a molecular weight of 184.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-nitrophenol;ethane is sourced from PubChem (CID 142035460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).