2,4-dichloro-6-iodo-3-methoxyaniline

C7H6Cl2INO — CID 171519391

IUPAC2,4-dichloro-6-iodo-3-methoxyaniline
SMILESCOc1c(Cl)cc(I)c(N)c1Cl
InChIInChI=1S/C7H6Cl2INO/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2H,11H2,1H3
InChIKeyBQZWVKNWGZQYNJ-UHFFFAOYSA-N
MW317.94 g/mol
LogP3.19
Rot. Bonds1

About 2,4-dichloro-6-iodo-3-methoxyaniline

2,4-dichloro-6-iodo-3-methoxyaniline (PubChem CID 171519391) has the molecular formula C7H6Cl2INO and a molecular weight of 317.94 g/mol. Its IUPAC name is 2,4-dichloro-6-iodo-3-methoxyaniline.

Molecular Properties

Compound Name2,4-dichloro-6-iodo-3-methoxyaniline
PubChem CID171519391
Molecular FormulaC7H6Cl2INO
Molecular Weight317.94 g/mol
Exact Mass316.89
IUPAC Name2,4-dichloro-6-iodo-3-methoxyaniline
SMILESCOc1c(Cl)cc(I)c(N)c1Cl
InChIInChI=1S/C7H6Cl2INO/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2H,11H2,1H3
InChIKeyBQZWVKNWGZQYNJ-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.94
LogP ≤ 53.19
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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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-iodo-3-methoxyaniline?
The IUPAC name of 2,4-dichloro-6-iodo-3-methoxyaniline (CID 171519391) is 2,4-dichloro-6-iodo-3-methoxyaniline.
What is the SMILES notation for 2,4-dichloro-6-iodo-3-methoxyaniline?
The canonical SMILES for 2,4-dichloro-6-iodo-3-methoxyaniline is COc1c(Cl)cc(I)c(N)c1Cl.
What is the InChIKey of 2,4-dichloro-6-iodo-3-methoxyaniline?
The InChIKey is BQZWVKNWGZQYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2INO/c1-12-7-3(8)2-4(10)6(11)5(7)9/h2H,11H2,1H3.
What are the key properties of 2,4-dichloro-6-iodo-3-methoxyaniline?
2,4-dichloro-6-iodo-3-methoxyaniline has a molecular weight of 317.94 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-iodo-3-methoxyaniline is sourced from PubChem (CID 171519391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).