2-bromo-N-iodoaniline

C6H5BrIN — CID 142016929

IUPAC2-bromo-N-iodoaniline
SMILESBrc1ccccc1NI
InChIInChI=1S/C6H5BrIN/c7-5-3-1-2-4-6(5)9-8/h1-4,9H
InChIKeyIRVRXMKYIIXYQP-UHFFFAOYSA-N
MW297.92 g/mol
LogP3.21
Rot. Bonds1

About 2-bromo-N-iodoaniline

2-bromo-N-iodoaniline (PubChem CID 142016929) has the molecular formula C6H5BrIN and a molecular weight of 297.92 g/mol. Its IUPAC name is 2-bromo-N-iodoaniline.

Molecular Properties

Compound Name2-bromo-N-iodoaniline
PubChem CID142016929
Molecular FormulaC6H5BrIN
Molecular Weight297.92 g/mol
Exact Mass296.87
IUPAC Name2-bromo-N-iodoaniline
SMILESBrc1ccccc1NI
InChIInChI=1S/C6H5BrIN/c7-5-3-1-2-4-6(5)9-8/h1-4,9H
InChIKeyIRVRXMKYIIXYQP-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.92
LogP ≤ 53.21
H-Bond Donors ≤ 51
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

1,2-bis(2-bromophenyl)hydrazine
CID 139124202
N-(2-bromophenyl)formamide
CID 817914
2-bromo-N-ethylaniline;hydrobromide
CID 175521152
N-(2-bromophenyl)-2-chloroaniline
CID 14022259
(2-bromophenyl)carbamic acid
CID 15021878
N-(2-bromophenyl)formamide;hydrochloride
CID 121229289
2,5-dibromo-N-(2-bromophenyl)aniline
CID 101290775
3,4-dibromo-N-(2-bromophenyl)aniline
CID 101290777
2-bromo-N-(methylsulfamoyl)aniline
CID 71126560
N,N'-bis(2-bromophenyl)butanediamide
CID 1039657
2-bromo-N-(3-fluoropropyl)aniline
CID 81105386
2-bromo-N-[(E)-but-2-enyl]aniline
CID 12064676

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-iodoaniline?
The IUPAC name of 2-bromo-N-iodoaniline (CID 142016929) is 2-bromo-N-iodoaniline.
What is the SMILES notation for 2-bromo-N-iodoaniline?
The canonical SMILES for 2-bromo-N-iodoaniline is Brc1ccccc1NI.
What is the InChIKey of 2-bromo-N-iodoaniline?
The InChIKey is IRVRXMKYIIXYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrIN/c7-5-3-1-2-4-6(5)9-8/h1-4,9H.
What are the key properties of 2-bromo-N-iodoaniline?
2-bromo-N-iodoaniline has a molecular weight of 297.92 g/mol, XLogP of 3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-iodoaniline is sourced from PubChem (CID 142016929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).