3,4-dichloro-N-iodoaniline

C6H4Cl2IN — CID 134221439

IUPAC3,4-dichloro-N-iodoaniline
SMILESClc1ccc(NI)cc1Cl
InChIInChI=1S/C6H4Cl2IN/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H
InChIKeyUNPRNZCIOXRKOU-UHFFFAOYSA-N
MW287.92 g/mol
LogP3.76
Rot. Bonds1

About 3,4-dichloro-N-iodoaniline

3,4-dichloro-N-iodoaniline (PubChem CID 134221439) has the molecular formula C6H4Cl2IN and a molecular weight of 287.92 g/mol. Its IUPAC name is 3,4-dichloro-N-iodoaniline.

Molecular Properties

Compound Name3,4-dichloro-N-iodoaniline
PubChem CID134221439
Molecular FormulaC6H4Cl2IN
Molecular Weight287.92 g/mol
Exact Mass286.88
IUPAC Name3,4-dichloro-N-iodoaniline
SMILESClc1ccc(NI)cc1Cl
InChIInChI=1S/C6H4Cl2IN/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H
InChIKeyUNPRNZCIOXRKOU-UHFFFAOYSA-N
XLogP3.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.92
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-iodoaniline?
The IUPAC name of 3,4-dichloro-N-iodoaniline (CID 134221439) is 3,4-dichloro-N-iodoaniline.
What is the SMILES notation for 3,4-dichloro-N-iodoaniline?
The canonical SMILES for 3,4-dichloro-N-iodoaniline is Clc1ccc(NI)cc1Cl.
What is the InChIKey of 3,4-dichloro-N-iodoaniline?
The InChIKey is UNPRNZCIOXRKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2IN/c7-5-2-1-4(10-9)3-6(5)8/h1-3,10H.
What are the key properties of 3,4-dichloro-N-iodoaniline?
3,4-dichloro-N-iodoaniline has a molecular weight of 287.92 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-iodoaniline is sourced from PubChem (CID 134221439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).