2,6-dichloro-N-(2-iodophenyl)aniline

C12H8Cl2IN — CID 175620459

IUPAC2,6-dichloro-N-(2-iodophenyl)aniline
SMILESClc1cccc(Cl)c1Nc1ccccc1I
InChIInChI=1S/C12H8Cl2IN/c13-8-4-3-5-9(14)12(8)16-11-7-2-1-6-10(11)15/h1-7,16H
InChIKeyROXHAMOZCVBPJE-UHFFFAOYSA-N
MW364.01 g/mol
LogP5.34
Rot. Bonds2

About 2,6-dichloro-N-(2-iodophenyl)aniline

2,6-dichloro-N-(2-iodophenyl)aniline (PubChem CID 175620459) has the molecular formula C12H8Cl2IN and a molecular weight of 364.01 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-iodophenyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(2-iodophenyl)aniline
PubChem CID175620459
Molecular FormulaC12H8Cl2IN
Molecular Weight364.01 g/mol
Exact Mass362.91
IUPAC Name2,6-dichloro-N-(2-iodophenyl)aniline
SMILESClc1cccc(Cl)c1Nc1ccccc1I
InChIInChI=1S/C12H8Cl2IN/c13-8-4-3-5-9(14)12(8)16-11-7-2-1-6-10(11)15/h1-7,16H
InChIKeyROXHAMOZCVBPJE-UHFFFAOYSA-N
XLogP5.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.01
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-1-N-(2-iodophenyl)benzene-1,2-diamine
CID 104834035
2,3-dichloro-N-(2,6-dichlorophenyl)aniline
CID 101290103
7-chloro-N-(2-iodophenyl)-1,3-benzothiazol-2-amine
CID 43305001
3-chloro-2-N-(2-chlorophenyl)benzene-1,2-diamine
CID 29067270
N-[(2,6-dichlorophenyl)diazenyl]-2-iodoaniline
CID 3344562
2,4,6-trichloro-N-(2-chlorophenyl)aniline
CID 101290833
2-chloro-6-(2,6-dichloroanilino)benzonitrile
CID 65468244
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydrate
CID 68653725
3-chloro-2-[(2-iodoanilino)methyl]phenol
CID 113276494
strontium;2-[2-(2,6-dichloroanilino)phenyl]acetic acid;hydride
CID 173032882
2,2-dideuterio-2-[2-(2,6-dichloroanilino)phenyl]acetic acid
CID 10661763
2,6-dichloro-N-[2-[2-(dimethylamino)ethyl]phenyl]aniline
CID 68796254

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-iodophenyl)aniline?
The IUPAC name of 2,6-dichloro-N-(2-iodophenyl)aniline (CID 175620459) is 2,6-dichloro-N-(2-iodophenyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(2-iodophenyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(2-iodophenyl)aniline is Clc1cccc(Cl)c1Nc1ccccc1I.
What is the InChIKey of 2,6-dichloro-N-(2-iodophenyl)aniline?
The InChIKey is ROXHAMOZCVBPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2IN/c13-8-4-3-5-9(14)12(8)16-11-7-2-1-6-10(11)15/h1-7,16H.
What are the key properties of 2,6-dichloro-N-(2-iodophenyl)aniline?
2,6-dichloro-N-(2-iodophenyl)aniline has a molecular weight of 364.01 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-iodophenyl)aniline is sourced from PubChem (CID 175620459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).