2-iodo-5-methoxyaniline

C7H8INO — CID 11139508

IUPAC2-iodo-5-methoxyaniline
SMILESCOc1ccc(I)c(N)c1
InChIInChI=1S/C7H8INO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKeyCYDBBGSUZRDOPE-UHFFFAOYSA-N
MW249.05 g/mol
LogP1.88
Rot. Bonds1

About 2-iodo-5-methoxyaniline

2-iodo-5-methoxyaniline (PubChem CID 11139508) has the molecular formula C7H8INO and a molecular weight of 249.05 g/mol. Its IUPAC name is 2-iodo-5-methoxyaniline.

Molecular Properties

Compound Name2-iodo-5-methoxyaniline
PubChem CID11139508
Molecular FormulaC7H8INO
Molecular Weight249.05 g/mol
Exact Mass248.97
IUPAC Name2-iodo-5-methoxyaniline
SMILESCOc1ccc(I)c(N)c1
InChIInChI=1S/C7H8INO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3
InChIKeyCYDBBGSUZRDOPE-UHFFFAOYSA-N
XLogP1.88
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.05
LogP ≤ 51.88
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'}

Analyze 2-iodo-5-methoxyaniline with MolForge

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

Launch Full Analysis

Related Compounds

ethynylbenzene;2-iodo-5-methoxyaniline;5-methoxy-2-(2-phenylethynyl)aniline
CID 158836117
(2-amino-4-methoxyphenyl) thiohypochlorite
CID 87575480
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
2-(1-iodoethyl)-5-methoxyaniline
CID 170370937
2-hydrazinyl-5-methoxyaniline
CID 119013430
2-fluoro-4-methoxyaniline
CID 3756383
(2-iodo-4-methoxyphenyl)methanamine;hydrochloride
CID 170917022
2-[(4-iodophenyl)methoxy]-5-methoxyaniline
CID 65498773
1-chloropentane;2-iodo-4-methoxyaniline
CID 175283221
1-[4-(2-amino-4-methoxyphenoxy)-3,5-diiodophenyl]ethanone
CID 25064589
(1R)-1-(2-iodo-5-methoxyphenyl)prop-2-en-1-amine
CID 131150983
1-iodo-4-methoxy-2-(trifluoromethoxy)benzene
CID 53415973

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-methoxyaniline?
The IUPAC name of 2-iodo-5-methoxyaniline (CID 11139508) is 2-iodo-5-methoxyaniline.
What is the SMILES notation for 2-iodo-5-methoxyaniline?
The canonical SMILES for 2-iodo-5-methoxyaniline is COc1ccc(I)c(N)c1.
What is the InChIKey of 2-iodo-5-methoxyaniline?
The InChIKey is CYDBBGSUZRDOPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8INO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,9H2,1H3.
What are the key properties of 2-iodo-5-methoxyaniline?
2-iodo-5-methoxyaniline has a molecular weight of 249.05 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-methoxyaniline is sourced from PubChem (CID 11139508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).