4-(dimethylamino)-2-nitrophenol

C8H10N2O3 — CID 66648731

IUPAC4-(dimethylamino)-2-nitrophenol
SMILESCN(C)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c1-9(2)6-3-4-8(11)7(5-6)10(12)13/h3-5,11H,1-2H3
InChIKeyZMUXWPIUXYLJJB-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.37
Rot. Bonds2

About 4-(dimethylamino)-2-nitrophenol

4-(dimethylamino)-2-nitrophenol (PubChem CID 66648731) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 4-(dimethylamino)-2-nitrophenol.

Molecular Properties

Compound Name4-(dimethylamino)-2-nitrophenol
PubChem CID66648731
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name4-(dimethylamino)-2-nitrophenol
SMILESCN(C)c1ccc(O)c([N+](=O)[O-])c1
InChIInChI=1S/C8H10N2O3/c1-9(2)6-3-4-8(11)7(5-6)10(12)13/h3-5,11H,1-2H3
InChIKeyZMUXWPIUXYLJJB-UHFFFAOYSA-N
XLogP1.37
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-nitrophenol?
The IUPAC name of 4-(dimethylamino)-2-nitrophenol (CID 66648731) is 4-(dimethylamino)-2-nitrophenol.
What is the SMILES notation for 4-(dimethylamino)-2-nitrophenol?
The canonical SMILES for 4-(dimethylamino)-2-nitrophenol is CN(C)c1ccc(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(dimethylamino)-2-nitrophenol?
The InChIKey is ZMUXWPIUXYLJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9(2)6-3-4-8(11)7(5-6)10(12)13/h3-5,11H,1-2H3.
What are the key properties of 4-(dimethylamino)-2-nitrophenol?
4-(dimethylamino)-2-nitrophenol has a molecular weight of 182.18 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-nitrophenol is sourced from PubChem (CID 66648731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).