2,4-diiodo-6-methoxyaniline

C7H7I2NO — CID 118990977

IUPAC2,4-diiodo-6-methoxyaniline
SMILESCOc1cc(I)cc(I)c1N
InChIInChI=1S/C7H7I2NO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3
InChIKeyKUBAAYFFTSJGDN-UHFFFAOYSA-N
MW374.95 g/mol
LogP2.49
Rot. Bonds1

About 2,4-diiodo-6-methoxyaniline

2,4-diiodo-6-methoxyaniline (PubChem CID 118990977) has the molecular formula C7H7I2NO and a molecular weight of 374.95 g/mol. Its IUPAC name is 2,4-diiodo-6-methoxyaniline.

Molecular Properties

Compound Name2,4-diiodo-6-methoxyaniline
PubChem CID118990977
Molecular FormulaC7H7I2NO
Molecular Weight374.95 g/mol
Exact Mass374.86
IUPAC Name2,4-diiodo-6-methoxyaniline
SMILESCOc1cc(I)cc(I)c1N
InChIInChI=1S/C7H7I2NO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3
InChIKeyKUBAAYFFTSJGDN-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-1,5-diiodo-3-methoxybenzene
CID 130984918
1,4-diiodo-2-methoxybenzene
CID 23154690
2,4-diiodo-6-methoxybenzaldehyde
CID 119011495
2-ethyl-5-iodo-1,3-dimethoxybenzene
CID 118819025
2-(2-hydroxy-5-iodo-3-methoxyphenyl)-4-iodo-6-methoxyphenol
CID 135271643
4-(4-amino-2-iodo-5-methoxyphenyl)-5-iodo-2-methoxyaniline
CID 141296455
1,2,3,4-tetraiodo-5-methoxybenzene
CID 163208160
ethyl 2-(2,4-diiodo-6-methoxyphenyl)acetate
CID 165355692
4-iodo-1-(4-iodo-2-methoxyphenyl)-2-methoxybenzene
CID 86019037
3,4,6-trimethoxybenzene-1,2-diamine
CID 14975826
2-amino-5-iodo-4-methoxybenzaldehyde
CID 121473317
2-amino-5-iodo-4-methoxybenzonitrile
CID 163342952

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-6-methoxyaniline?
The IUPAC name of 2,4-diiodo-6-methoxyaniline (CID 118990977) is 2,4-diiodo-6-methoxyaniline.
What is the SMILES notation for 2,4-diiodo-6-methoxyaniline?
The canonical SMILES for 2,4-diiodo-6-methoxyaniline is COc1cc(I)cc(I)c1N.
What is the InChIKey of 2,4-diiodo-6-methoxyaniline?
The InChIKey is KUBAAYFFTSJGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I2NO/c1-11-6-3-4(8)2-5(9)7(6)10/h2-3H,10H2,1H3.
What are the key properties of 2,4-diiodo-6-methoxyaniline?
2,4-diiodo-6-methoxyaniline has a molecular weight of 374.95 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-6-methoxyaniline is sourced from PubChem (CID 118990977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).