2-(3-chlorophenyl)-4-iodoaniline

C12H9ClIN — CID 54098083

IUPAC2-(3-chlorophenyl)-4-iodoaniline
SMILESNc1ccc(I)cc1-c1cccc(Cl)c1
InChIInChI=1S/C12H9ClIN/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H,15H2
InChIKeyRUKPVMIXMNSTBH-UHFFFAOYSA-N
MW329.57 g/mol
LogP4.19
Rot. Bonds1

About 2-(3-chlorophenyl)-4-iodoaniline

2-(3-chlorophenyl)-4-iodoaniline (PubChem CID 54098083) has the molecular formula C12H9ClIN and a molecular weight of 329.57 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4-iodoaniline.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4-iodoaniline
PubChem CID54098083
Molecular FormulaC12H9ClIN
Molecular Weight329.57 g/mol
Exact Mass328.95
IUPAC Name2-(3-chlorophenyl)-4-iodoaniline
SMILESNc1ccc(I)cc1-c1cccc(Cl)c1
InChIInChI=1S/C12H9ClIN/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H,15H2
InChIKeyRUKPVMIXMNSTBH-UHFFFAOYSA-N
XLogP4.19
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.57
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3'-Dichloro-4,4'-Diaminodiphenylmethane
CID 7543
3,3'-Dichlorobenzidine
CID 7070
3,3'-Dichlorobenzidine dihydrochloride
CID 11933
2-Aminobiphenyl
CID 7015
4-Chloro-2-toluidine
CID 7251
p-Chloro-o-toluidine hydrochloride
CID 18487
2-Biphenylamine hydrochloride
CID 5284347
4-Amino-4'-chlorodiphenyl
CID 8675
4-Chloronaphthylamine
CID 78408
2-Amino-4'-chlorobiphenyl
CID 262261
2,2'-Dichlorobenzidine
CID 66538
3',4'-Dichloro-5-fluorobiphenyl-2-amine
CID 11572419

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4-iodoaniline?
The IUPAC name of 2-(3-chlorophenyl)-4-iodoaniline (CID 54098083) is 2-(3-chlorophenyl)-4-iodoaniline.
What is the SMILES notation for 2-(3-chlorophenyl)-4-iodoaniline?
The canonical SMILES for 2-(3-chlorophenyl)-4-iodoaniline is Nc1ccc(I)cc1-c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-4-iodoaniline?
The InChIKey is RUKPVMIXMNSTBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClIN/c13-9-3-1-2-8(6-9)11-7-10(14)4-5-12(11)15/h1-7H,15H2.
What are the key properties of 2-(3-chlorophenyl)-4-iodoaniline?
2-(3-chlorophenyl)-4-iodoaniline has a molecular weight of 329.57 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4-iodoaniline is sourced from PubChem (CID 54098083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).