2-(dimethylamino)-4-nitrophenol

C8H10N2O3 — CID 18789905

IUPAC2-(dimethylamino)-4-nitrophenol
SMILESCN(C)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H10N2O3/c1-9(2)7-5-6(10(12)13)3-4-8(7)11/h3-5,11H,1-2H3
InChIKeyPLGKEXCSCAEBDY-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.37
Rot. Bonds2

About 2-(dimethylamino)-4-nitrophenol

2-(dimethylamino)-4-nitrophenol (PubChem CID 18789905) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(dimethylamino)-4-nitrophenol.

Molecular Properties

Compound Name2-(dimethylamino)-4-nitrophenol
PubChem CID18789905
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(dimethylamino)-4-nitrophenol
SMILESCN(C)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C8H10N2O3/c1-9(2)7-5-6(10(12)13)3-4-8(7)11/h3-5,11H,1-2H3
InChIKeyPLGKEXCSCAEBDY-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 2-(dimethylamino)-4-nitrophenol?
The IUPAC name of 2-(dimethylamino)-4-nitrophenol (CID 18789905) is 2-(dimethylamino)-4-nitrophenol.
What is the SMILES notation for 2-(dimethylamino)-4-nitrophenol?
The canonical SMILES for 2-(dimethylamino)-4-nitrophenol is CN(C)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-(dimethylamino)-4-nitrophenol?
The InChIKey is PLGKEXCSCAEBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-9(2)7-5-6(10(12)13)3-4-8(7)11/h3-5,11H,1-2H3.
What are the key properties of 2-(dimethylamino)-4-nitrophenol?
2-(dimethylamino)-4-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 2-(dimethylamino)-4-nitrophenol is sourced from PubChem (CID 18789905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).