N,2-diiodo-4-methoxyaniline

C7H7I2NO — CID 162265353

IUPACN,2-diiodo-4-methoxyaniline
SMILESCOc1ccc(NI)c(I)c1
InChIInChI=1S/C7H7I2NO/c1-11-5-2-3-7(10-9)6(8)4-5/h2-4,10H,1H3
InChIKeyZZVHHBBTNQUUOW-UHFFFAOYSA-N
MW374.95 g/mol
LogP3.06
Rot. Bonds2

About N,2-diiodo-4-methoxyaniline

N,2-diiodo-4-methoxyaniline (PubChem CID 162265353) has the molecular formula C7H7I2NO and a molecular weight of 374.95 g/mol. Its IUPAC name is N,2-diiodo-4-methoxyaniline.

Molecular Properties

Compound NameN,2-diiodo-4-methoxyaniline
PubChem CID162265353
Molecular FormulaC7H7I2NO
Molecular Weight374.95 g/mol
Exact Mass374.86
IUPAC NameN,2-diiodo-4-methoxyaniline
SMILESCOc1ccc(NI)c(I)c1
InChIInChI=1S/C7H7I2NO/c1-11-5-2-3-7(10-9)6(8)4-5/h2-4,10H,1H3
InChIKeyZZVHHBBTNQUUOW-UHFFFAOYSA-N
XLogP3.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.95
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-iodo-4-methoxy-N-methylaniline
CID 11010799
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-iodo-4-methoxy-1-(methoxymethoxy)benzene
CID 171366957
2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 103737180
2-iodo-5-methoxyaniline
CID 11139508
2-iodo-4-methoxy-1-methylsulfonylbenzene
CID 122362550
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022
2-[4-[2-(iodoamino)-4-methoxyanilino]anilino]ethanol
CID 89423769
4-chloro-N-[1-(2,5-dimethoxyphenyl)ethyl]-2-iodoaniline
CID 107632180
N-(4-chloro-2-iodophenyl)-2,5-dimethoxybenzamide
CID 103766869
2-bromo-N-fluoro-4-methoxyaniline
CID 174521230
2,4-dimethoxy-N-methylaniline;ethane
CID 143206191

Frequently Asked Questions

What is the IUPAC name of N,2-diiodo-4-methoxyaniline?
The IUPAC name of N,2-diiodo-4-methoxyaniline (CID 162265353) is N,2-diiodo-4-methoxyaniline.
What is the SMILES notation for N,2-diiodo-4-methoxyaniline?
The canonical SMILES for N,2-diiodo-4-methoxyaniline is COc1ccc(NI)c(I)c1.
What is the InChIKey of N,2-diiodo-4-methoxyaniline?
The InChIKey is ZZVHHBBTNQUUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I2NO/c1-11-5-2-3-7(10-9)6(8)4-5/h2-4,10H,1H3.
What are the key properties of N,2-diiodo-4-methoxyaniline?
N,2-diiodo-4-methoxyaniline has a molecular weight of 374.95 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diiodo-4-methoxyaniline is sourced from PubChem (CID 162265353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).