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

C12H9Br2IN2 — CID 114258648

IUPAC2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Br)ccc2I)c(Br)c1
InChIInChI=1S/C12H9Br2IN2/c13-7-1-3-10(15)12(5-7)17-11-4-2-8(16)6-9(11)14/h1-6,17H,16H2
InChIKeyPPKUSTPHZHJZKB-UHFFFAOYSA-N
MW467.93 g/mol
LogP5.14
Rot. Bonds2

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

2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine (PubChem CID 114258648) has the molecular formula C12H9Br2IN2 and a molecular weight of 467.93 g/mol. Its IUPAC name is 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine
PubChem CID114258648
Molecular FormulaC12H9Br2IN2
Molecular Weight467.93 g/mol
Exact Mass465.82
IUPAC Name2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine
SMILESNc1ccc(Nc2cc(Br)ccc2I)c(Br)c1
InChIInChI=1S/C12H9Br2IN2/c13-7-1-3-10(15)12(5-7)17-11-4-2-8(16)6-9(11)14/h1-6,17H,16H2
InChIKeyPPKUSTPHZHJZKB-UHFFFAOYSA-N
XLogP5.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.93
LogP ≤ 55.14
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

1-N-(5-bromo-2-fluorophenyl)-2-iodobenzene-1,4-diamine
CID 66093745
5-bromo-4-N-(5-bromo-2-iodophenyl)pyridine-3,4-diamine
CID 114258679
2-bromo-1-N-(2-bromo-3-chlorophenyl)benzene-1,4-diamine
CID 103477453
1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine
CID 66094560
1-N-(2-bromo-5-chloro-4-methylphenyl)-2-iodobenzene-1,4-diamine
CID 113445347
ethyl 5-amino-2-(2,4-dibromoanilino)benzoate
CID 63423028
4-(5-bromo-2-iodoanilino)-3-methylbenzoic acid
CID 114260464
2-N-(2,4-dibromophenyl)-4-fluorobenzene-1,2-diamine
CID 62376625
3-bromo-4-(2,4-dibromoanilino)benzonitrile
CID 82797505
2-N-(2,4-dibromophenyl)-1,3-benzoxazole-2,6-diamine
CID 79892542
2-bromo-1-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-diamine
CID 63179637
4-N-(5-bromo-2-chlorophenyl)benzene-1,4-diamine
CID 62913398

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine?
The IUPAC name of 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine (CID 114258648) is 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine.
What is the SMILES notation for 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine?
The canonical SMILES for 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine is Nc1ccc(Nc2cc(Br)ccc2I)c(Br)c1.
What is the InChIKey of 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine?
The InChIKey is PPKUSTPHZHJZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2IN2/c13-7-1-3-10(15)12(5-7)17-11-4-2-8(16)6-9(11)14/h1-6,17H,16H2.
What are the key properties of 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine?
2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine has a molecular weight of 467.93 g/mol, XLogP of 5.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-N-(5-bromo-2-iodophenyl)benzene-1,4-diamine is sourced from PubChem (CID 114258648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).