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

C9H11IN2O3 — CID 66081720

IUPAC2-(4-iodo-N-methyl-2-nitroanilino)ethanol
SMILESCN(CCO)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11IN2O3/c1-11(4-5-13)8-3-2-7(10)6-9(8)12(14)15/h2-3,6,13H,4-5H2,1H3
InChIKeyJIGXWPBMNFOOJR-UHFFFAOYSA-N
MW322.10 g/mol
LogP1.63
Rot. Bonds4

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

2-(4-iodo-N-methyl-2-nitroanilino)ethanol (PubChem CID 66081720) has the molecular formula C9H11IN2O3 and a molecular weight of 322.10 g/mol. Its IUPAC name is 2-(4-iodo-N-methyl-2-nitroanilino)ethanol.

Molecular Properties

Compound Name2-(4-iodo-N-methyl-2-nitroanilino)ethanol
PubChem CID66081720
Molecular FormulaC9H11IN2O3
Molecular Weight322.10 g/mol
Exact Mass321.98
IUPAC Name2-(4-iodo-N-methyl-2-nitroanilino)ethanol
SMILESCN(CCO)c1ccc(I)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11IN2O3/c1-11(4-5-13)8-3-2-7(10)6-9(8)12(14)15/h2-3,6,13H,4-5H2,1H3
InChIKeyJIGXWPBMNFOOJR-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': 'iodine', '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

3-(4-iodo-N-methyl-2-nitroanilino)propanoic acid
CID 66066231
4-(4-iodo-N-methyl-2-nitroanilino)butan-2-ol
CID 115658302
2-(2-iodo-N-methyl-4-nitroanilino)ethanol
CID 66093920
2-(N-cyclohexyl-4-iodo-2-nitroanilino)ethanol
CID 66080534
3-[4-(difluoromethyl)-N-methyl-2-nitroanilino]propan-1-ol
CID 112737697
N-tert-butyl-4-[2-hydroxyethyl(methyl)amino]-3-nitrobenzenesulfonamide
CID 9187566
[4-[butyl(methyl)amino]-3-nitrophenyl]methanol
CID 28963485
2-[N-(carboxymethyl)-4-iodo-2-nitroanilino]acetic acid
CID 66066432
N'-ethyl-N'-(4-iodo-2-nitrophenyl)ethane-1,2-diamine
CID 114900595
4-iodo-N-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-nitroaniline
CID 133463433
[4-[methyl(pent-4-enyl)amino]-3-nitrophenyl]methanol
CID 115658800
N-[3-(4-bromo-N-methyl-2-nitroanilino)propyl]acetamide
CID 133303962

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-N-methyl-2-nitroanilino)ethanol?
The IUPAC name of 2-(4-iodo-N-methyl-2-nitroanilino)ethanol (CID 66081720) is 2-(4-iodo-N-methyl-2-nitroanilino)ethanol.
What is the SMILES notation for 2-(4-iodo-N-methyl-2-nitroanilino)ethanol?
The canonical SMILES for 2-(4-iodo-N-methyl-2-nitroanilino)ethanol is CN(CCO)c1ccc(I)cc1[N+](=O)[O-].
What is the InChIKey of 2-(4-iodo-N-methyl-2-nitroanilino)ethanol?
The InChIKey is JIGXWPBMNFOOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O3/c1-11(4-5-13)8-3-2-7(10)6-9(8)12(14)15/h2-3,6,13H,4-5H2,1H3.
What are the key properties of 2-(4-iodo-N-methyl-2-nitroanilino)ethanol?
2-(4-iodo-N-methyl-2-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-(4-iodo-N-methyl-2-nitroanilino)ethanol is sourced from PubChem (CID 66081720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).