2-(2-iodo-N-methyl-4-nitroanilino)ethanol

C9H11IN2O3 — CID 66093920

IUPAC2-(2-iodo-N-methyl-4-nitroanilino)ethanol
SMILESCN(CCO)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C9H11IN2O3/c1-11(4-5-13)9-3-2-7(12(14)15)6-8(9)10/h2-3,6,13H,4-5H2,1H3
InChIKeyYTLRSGBKOGESIW-UHFFFAOYSA-N
MW322.10 g/mol
LogP1.63
Rot. Bonds4

About 2-(2-iodo-N-methyl-4-nitroanilino)ethanol

2-(2-iodo-N-methyl-4-nitroanilino)ethanol (PubChem CID 66093920) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 2-(2-iodo-N-methyl-4-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(2-iodo-N-methyl-4-nitroanilino)ethanol
PubChem CID66093920
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name2-(2-iodo-N-methyl-4-nitroanilino)ethanol
SMILESCN(CCO)c1ccc([N+](=O)[O-])cc1I
InChIInChI=1S/C9H11IN2O3/c1-11(4-5-13)9-3-2-7(12(14)15)6-8(9)10/h2-3,6,13H,4-5H2,1H3
InChIKeyYTLRSGBKOGESIW-UHFFFAOYSA-N
XLogP1.63
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.10
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(2-iodo-N-methyl-4-nitroanilino)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-N-methyl-4-nitroanilino)ethanol?
The IUPAC name of 2-(2-iodo-N-methyl-4-nitroanilino)ethanol (CID 66093920) is 2-(2-iodo-N-methyl-4-nitroanilino)ethanol.
What is the SMILES notation for 2-(2-iodo-N-methyl-4-nitroanilino)ethanol?
The canonical SMILES for 2-(2-iodo-N-methyl-4-nitroanilino)ethanol is CN(CCO)c1ccc([N+](=O)[O-])cc1I.
What is the InChIKey of 2-(2-iodo-N-methyl-4-nitroanilino)ethanol?
The InChIKey is YTLRSGBKOGESIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-11(4-5-13)9-3-2-7(12(14)15)6-8(9)10/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2-(2-iodo-N-methyl-4-nitroanilino)ethanol?
2-(2-iodo-N-methyl-4-nitroanilino)ethanol has a molecular weight of 322.10 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-N-methyl-4-nitroanilino)ethanol is sourced from PubChem (CID 66093920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).