5-bromo-2-fluoro-3-iodoaniline;hydrochloride

C6H5BrClFIN — CID 164664220

IUPAC5-bromo-2-fluoro-3-iodoaniline;hydrochloride
SMILESCl.Nc1cc(Br)cc(I)c1F
InChIInChI=1S/C6H4BrFIN.ClH/c7-3-1-4(9)6(8)5(10)2-3;/h1-2H,10H2;1H
InChIKeyWEWJRCRKLFSXMR-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.20
Rot. Bonds

About 5-bromo-2-fluoro-3-iodoaniline;hydrochloride

5-bromo-2-fluoro-3-iodoaniline;hydrochloride (PubChem CID 164664220) has the molecular formula C6H5BrClFIN and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-bromo-2-fluoro-3-iodoaniline;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-fluoro-3-iodoaniline;hydrochloride
PubChem CID164664220
Molecular FormulaC6H5BrClFIN
Molecular Weight352.37 g/mol
Exact Mass350.83
IUPAC Name5-bromo-2-fluoro-3-iodoaniline;hydrochloride
SMILESCl.Nc1cc(Br)cc(I)c1F
InChIInChI=1S/C6H4BrFIN.ClH/c7-3-1-4(9)6(8)5(10)2-3;/h1-2H,10H2;1H
InChIKeyWEWJRCRKLFSXMR-UHFFFAOYSA-N
XLogP3.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-3-iodoaniline;hydrochloride?
The IUPAC name of 5-bromo-2-fluoro-3-iodoaniline;hydrochloride (CID 164664220) is 5-bromo-2-fluoro-3-iodoaniline;hydrochloride.
What is the SMILES notation for 5-bromo-2-fluoro-3-iodoaniline;hydrochloride?
The canonical SMILES for 5-bromo-2-fluoro-3-iodoaniline;hydrochloride is Cl.Nc1cc(Br)cc(I)c1F.
What is the InChIKey of 5-bromo-2-fluoro-3-iodoaniline;hydrochloride?
The InChIKey is WEWJRCRKLFSXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFIN.ClH/c7-3-1-4(9)6(8)5(10)2-3;/h1-2H,10H2;1H.
What are the key properties of 5-bromo-2-fluoro-3-iodoaniline;hydrochloride?
5-bromo-2-fluoro-3-iodoaniline;hydrochloride has a molecular weight of 352.37 g/mol, XLogP of 3.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-3-iodoaniline;hydrochloride is sourced from PubChem (CID 164664220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).