N-bromo-N-iodoaniline

C6H5BrIN — CID 91511421

IUPACN-bromo-N-iodoaniline
SMILESBrN(I)c1ccccc1
InChIInChI=1S/C6H5BrIN/c7-9(8)6-4-2-1-3-5-6/h1-5H
InChIKeyMCGMATNNFIEBOV-UHFFFAOYSA-N
MW297.92 g/mol
LogP3.15
Rot. Bonds1

About N-bromo-N-iodoaniline

N-bromo-N-iodoaniline (PubChem CID 91511421) has the molecular formula C6H5BrIN and a molecular weight of 297.92 g/mol. Its IUPAC name is N-bromo-N-iodoaniline.

Molecular Properties

Compound NameN-bromo-N-iodoaniline
PubChem CID91511421
Molecular FormulaC6H5BrIN
Molecular Weight297.92 g/mol
Exact Mass296.87
IUPAC NameN-bromo-N-iodoaniline
SMILESBrN(I)c1ccccc1
InChIInChI=1S/C6H5BrIN/c7-9(8)6-4-2-1-3-5-6/h1-5H
InChIKeyMCGMATNNFIEBOV-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.92
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylaniline
CID 70392672
1-iodo-1-phenylhydrazine;hydrochloride
CID 53433717
CID 69241188
CID 69241188
N,N-dimethylaniline;hydrofluoride
CID 160775229
N,N-dimethylaniline;mercury
CID 158660084
N,N-dimethylaniline;hydron
CID 174471199
N,N-dimethylaniline;nickel
CID 158294400
N,N-dimethylaniline;osmium(4+)
CID 172845967
N-iodo-N-(trifluoromethyl)aniline
CID 139392066
N-iodo-N-methoxyaniline
CID 142027982
3-bromo-N-iodo-N-phenylaniline
CID 143818011
N,N-dimethylaniline;methanol
CID 143205399

Frequently Asked Questions

What is the IUPAC name of N-bromo-N-iodoaniline?
The IUPAC name of N-bromo-N-iodoaniline (CID 91511421) is N-bromo-N-iodoaniline.
What is the SMILES notation for N-bromo-N-iodoaniline?
The canonical SMILES for N-bromo-N-iodoaniline is BrN(I)c1ccccc1.
What is the InChIKey of N-bromo-N-iodoaniline?
The InChIKey is MCGMATNNFIEBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrIN/c7-9(8)6-4-2-1-3-5-6/h1-5H.
What are the key properties of N-bromo-N-iodoaniline?
N-bromo-N-iodoaniline has a molecular weight of 297.92 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-bromo-N-iodoaniline is sourced from PubChem (CID 91511421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).