3-bromo-5-chloro-2-iodothiophene

C4HBrClIS — CID 155820399

IUPAC3-bromo-5-chloro-2-iodothiophene
SMILESClc1cc(Br)c(I)s1
InChIInChI=1S/C4HBrClIS/c5-2-1-3(6)8-4(2)7/h1H
InChIKeyJWPVMEPKGACKMC-UHFFFAOYSA-N
MW323.38 g/mol
LogP3.77
Rot. Bonds

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

3-bromo-5-chloro-2-iodothiophene (PubChem CID 155820399) has the molecular formula C4HBrClIS and a molecular weight of 323.38 g/mol. Its IUPAC name is 3-bromo-5-chloro-2-iodothiophene.

Molecular Properties

Compound Name3-bromo-5-chloro-2-iodothiophene
PubChem CID155820399
Molecular FormulaC4HBrClIS
Molecular Weight323.38 g/mol
Exact Mass321.77
IUPAC Name3-bromo-5-chloro-2-iodothiophene
SMILESClc1cc(Br)c(I)s1
InChIInChI=1S/C4HBrClIS/c5-2-1-3(6)8-4(2)7/h1H
InChIKeyJWPVMEPKGACKMC-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-5-chloro-2-iodothiophene?
The IUPAC name of 3-bromo-5-chloro-2-iodothiophene (CID 155820399) is 3-bromo-5-chloro-2-iodothiophene.
What is the SMILES notation for 3-bromo-5-chloro-2-iodothiophene?
The canonical SMILES for 3-bromo-5-chloro-2-iodothiophene is Clc1cc(Br)c(I)s1.
What is the InChIKey of 3-bromo-5-chloro-2-iodothiophene?
The InChIKey is JWPVMEPKGACKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HBrClIS/c5-2-1-3(6)8-4(2)7/h1H.
What are the key properties of 3-bromo-5-chloro-2-iodothiophene?
3-bromo-5-chloro-2-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-5-chloro-2-iodothiophene is sourced from PubChem (CID 155820399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).