5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline

C12H10BrIN4O2 — CID 114261782

IUPAC5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline
SMILESNNc1cc(Nc2cc(Br)ccc2I)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10BrIN4O2/c13-7-1-2-11(14)12(3-7)16-8-4-9(17-15)6-10(5-8)18(19)20/h1-6,16-17H,15H2
InChIKeyIPRALWVNAFCNOF-UHFFFAOYSA-N
MW449.05 g/mol
LogP3.99
Rot. Bonds4

About 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline

5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline (PubChem CID 114261782) has the molecular formula C12H10BrIN4O2 and a molecular weight of 449.05 g/mol. Its IUPAC name is 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline.

Molecular Properties

Compound Name5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline
PubChem CID114261782
Molecular FormulaC12H10BrIN4O2
Molecular Weight449.05 g/mol
Exact Mass447.90
IUPAC Name5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline
SMILESNNc1cc(Nc2cc(Br)ccc2I)cc([N+](=O)[O-])c1
InChIInChI=1S/C12H10BrIN4O2/c13-7-1-2-11(14)12(3-7)16-8-4-9(17-15)6-10(5-8)18(19)20/h1-6,16-17H,15H2
InChIKeyIPRALWVNAFCNOF-UHFFFAOYSA-N
XLogP3.99
TPSA93.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.05
LogP ≤ 53.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline?
The IUPAC name of 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline (CID 114261782) is 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline.
What is the SMILES notation for 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline?
The canonical SMILES for 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline is NNc1cc(Nc2cc(Br)ccc2I)cc([N+](=O)[O-])c1.
What is the InChIKey of 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline?
The InChIKey is IPRALWVNAFCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrIN4O2/c13-7-1-2-11(14)12(3-7)16-8-4-9(17-15)6-10(5-8)18(19)20/h1-6,16-17H,15H2.
What are the key properties of 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline?
5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline has a molecular weight of 449.05 g/mol, XLogP of 3.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-hydrazinyl-5-nitrophenyl)-2-iodoaniline is sourced from PubChem (CID 114261782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).