4-bromoaniline;hydroiodide

C6H7BrIN — CID 175433533

IUPAC4-bromoaniline;hydroiodide
SMILESI.Nc1ccc(Br)cc1
InChIInChI=1S/C6H6BrN.HI/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyGRNKUTDFMIMTCE-UHFFFAOYSA-N
MW299.94 g/mol
LogP2.65
Rot. Bonds

About 4-bromoaniline;hydroiodide

4-bromoaniline;hydroiodide (PubChem CID 175433533) has the molecular formula C6H7BrIN and a molecular weight of 299.94 g/mol. Its IUPAC name is 4-bromoaniline;hydroiodide.

Molecular Properties

Compound Name4-bromoaniline;hydroiodide
PubChem CID175433533
Molecular FormulaC6H7BrIN
Molecular Weight299.94 g/mol
Exact Mass298.88
IUPAC Name4-bromoaniline;hydroiodide
SMILESI.Nc1ccc(Br)cc1
InChIInChI=1S/C6H6BrN.HI/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H
InChIKeyGRNKUTDFMIMTCE-UHFFFAOYSA-N
XLogP2.65
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.94
LogP ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of 4-bromoaniline;hydroiodide?
The IUPAC name of 4-bromoaniline;hydroiodide (CID 175433533) is 4-bromoaniline;hydroiodide.
What is the SMILES notation for 4-bromoaniline;hydroiodide?
The canonical SMILES for 4-bromoaniline;hydroiodide is I.Nc1ccc(Br)cc1.
What is the InChIKey of 4-bromoaniline;hydroiodide?
The InChIKey is GRNKUTDFMIMTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrN.HI/c7-5-1-3-6(8)4-2-5;/h1-4H,8H2;1H.
What are the key properties of 4-bromoaniline;hydroiodide?
4-bromoaniline;hydroiodide has a molecular weight of 299.94 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromoaniline;hydroiodide is sourced from PubChem (CID 175433533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).