3-bromo-2-chloro-5-iodothiophene

C4HBrClIS — CID 102828897

IUPAC3-bromo-2-chloro-5-iodothiophene
SMILESClc1sc(I)cc1Br
InChIInChI=1S/C4HBrClIS/c5-2-1-3(7)8-4(2)6/h1H
InChIKeyQOSAUCDYXCNBSY-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.77
Rot. Bonds

About 3-bromo-2-chloro-5-iodothiophene

3-bromo-2-chloro-5-iodothiophene (PubChem CID 102828897) has the molecular formula C4HBrClIS and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-iodothiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-iodothiophene
PubChem CID102828897
Molecular FormulaC4HBrClIS
Molecular Weight323.38 g/mol
Exact Mass321.77
IUPAC Name3-bromo-2-chloro-5-iodothiophene
SMILESClc1sc(I)cc1Br
InChIInChI=1S/C4HBrClIS/c5-2-1-3(7)8-4(2)6/h1H
InChIKeyQOSAUCDYXCNBSY-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-iodothiophene?
The IUPAC name of 3-bromo-2-chloro-5-iodothiophene (CID 102828897) is 3-bromo-2-chloro-5-iodothiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-iodothiophene?
The canonical SMILES for 3-bromo-2-chloro-5-iodothiophene is Clc1sc(I)cc1Br.
What is the InChIKey of 3-bromo-2-chloro-5-iodothiophene?
The InChIKey is QOSAUCDYXCNBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrClIS/c5-2-1-3(7)8-4(2)6/h1H.
What are the key properties of 3-bromo-2-chloro-5-iodothiophene?
3-bromo-2-chloro-5-iodothiophene has a molecular weight of 323.38 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-5-iodothiophene is sourced from PubChem (CID 102828897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).