4-(4-aminophenyl)-5-chloro-2-iodoaniline

C12H10ClIN2 — CID 151805171

IUPAC4-(4-aminophenyl)-5-chloro-2-iodoaniline
SMILESNc1ccc(-c2cc(I)c(N)cc2Cl)cc1
InChIInChI=1S/C12H10ClIN2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2
InChIKeyRZLKAUMSYOWZKH-UHFFFAOYSA-N
MW344.58 g/mol
LogP3.78
Rot. Bonds1

About 4-(4-aminophenyl)-5-chloro-2-iodoaniline

4-(4-aminophenyl)-5-chloro-2-iodoaniline (PubChem CID 151805171) has the molecular formula C12H10ClIN2 and a molecular weight of 344.58 g/mol. Its IUPAC name is 4-(4-aminophenyl)-5-chloro-2-iodoaniline.

Molecular Properties

Compound Name4-(4-aminophenyl)-5-chloro-2-iodoaniline
PubChem CID151805171
Molecular FormulaC12H10ClIN2
Molecular Weight344.58 g/mol
Exact Mass343.96
IUPAC Name4-(4-aminophenyl)-5-chloro-2-iodoaniline
SMILESNc1ccc(-c2cc(I)c(N)cc2Cl)cc1
InChIInChI=1S/C12H10ClIN2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2
InChIKeyRZLKAUMSYOWZKH-UHFFFAOYSA-N
XLogP3.78
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.58
LogP ≤ 53.78
H-Bond Donors ≤ 52
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 4-(4-aminophenyl)-5-chloro-2-iodoaniline?
The IUPAC name of 4-(4-aminophenyl)-5-chloro-2-iodoaniline (CID 151805171) is 4-(4-aminophenyl)-5-chloro-2-iodoaniline.
What is the SMILES notation for 4-(4-aminophenyl)-5-chloro-2-iodoaniline?
The canonical SMILES for 4-(4-aminophenyl)-5-chloro-2-iodoaniline is Nc1ccc(-c2cc(I)c(N)cc2Cl)cc1.
What is the InChIKey of 4-(4-aminophenyl)-5-chloro-2-iodoaniline?
The InChIKey is RZLKAUMSYOWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClIN2/c13-10-6-12(16)11(14)5-9(10)7-1-3-8(15)4-2-7/h1-6H,15-16H2.
What are the key properties of 4-(4-aminophenyl)-5-chloro-2-iodoaniline?
4-(4-aminophenyl)-5-chloro-2-iodoaniline has a molecular weight of 344.58 g/mol, XLogP of 3.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminophenyl)-5-chloro-2-iodoaniline is sourced from PubChem (CID 151805171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).