2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine

C12H9BrClIN2 — CID 114258550

IUPAC2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1cc(I)ccc1Br
InChIInChI=1S/C12H9BrClIN2/c13-9-3-2-8(15)6-11(9)17-12-5-7(14)1-4-10(12)16/h1-6,17H,16H2
InChIKeyQLKDMTZIAOAQCN-UHFFFAOYSA-N
MW423.48 g/mol
LogP5.03
Rot. Bonds2

About 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine

2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine (PubChem CID 114258550) has the molecular formula C12H9BrClIN2 and a molecular weight of 423.48 g/mol. Its IUPAC name is 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine
PubChem CID114258550
Molecular FormulaC12H9BrClIN2
Molecular Weight423.48 g/mol
Exact Mass421.87
IUPAC Name2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine
SMILESNc1ccc(Cl)cc1Nc1cc(I)ccc1Br
InChIInChI=1S/C12H9BrClIN2/c13-9-3-2-8(15)6-11(9)17-12-5-7(14)1-4-10(12)16/h1-6,17H,16H2
InChIKeyQLKDMTZIAOAQCN-UHFFFAOYSA-N
XLogP5.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.48
LogP ≤ 55.03
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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Related Compounds

4-chloro-2-N-phenylbenzene-1,2-diamine
CID 526554
2-N-(2-bromo-4-chlorophenyl)-4-fluorobenzene-1,2-diamine
CID 81262967
(2-bromo-5-iodophenyl)hydrazine
CID 130164634
(2-bromo-5-chlorophenyl)hydrazine
CID 58110901
4-bromo-2-N-(2,4-dichlorophenyl)benzene-1,2-diamine
CID 65343558
4-N-(2-bromo-5-chlorophenyl)-2-(trifluoromethyl)benzene-1,4-diamine
CID 81263721
1-N-(2-bromo-5-chlorophenyl)-3-methylbenzene-1,2-diamine
CID 114041326
4-chloro-2-N-(2,3,4-trifluorophenyl)benzene-1,2-diamine
CID 113315585
1-N-(2-bromo-5-chlorophenyl)-5-chloro-6-fluorobenzene-1,2,4-triamine
CID 103553339
2-(2-amino-5-bromoanilino)-4-chlorobenzonitrile
CID 65342420
2-bromo-1-N-(2,5-dichlorophenyl)-5-methylbenzene-1,4-diamine
CID 114048136
N-(2-amino-5-chlorophenyl)-2,5-dibromobenzamide
CID 114367618

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine?
The IUPAC name of 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine (CID 114258550) is 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine?
The canonical SMILES for 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine is Nc1ccc(Cl)cc1Nc1cc(I)ccc1Br.
What is the InChIKey of 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine?
The InChIKey is QLKDMTZIAOAQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClIN2/c13-9-3-2-8(15)6-11(9)17-12-5-7(14)1-4-10(12)16/h1-6,17H,16H2.
What are the key properties of 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine?
2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine has a molecular weight of 423.48 g/mol, XLogP of 5.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-5-iodophenyl)-4-chlorobenzene-1,2-diamine is sourced from PubChem (CID 114258550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).