2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene

C11H5Br2Cl2IS — CID 103211270

IUPAC2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene
SMILESClc1cc(C(Br)c2cc(Cl)c(Br)s2)ccc1I
InChIInChI=1S/C11H5Br2Cl2IS/c12-10(9-4-7(15)11(13)17-9)5-1-2-8(16)6(14)3-5/h1-4,10H
InChIKeyVDXZNMNBWZWQDM-UHFFFAOYSA-N
MW526.85 g/mol
LogP6.91
Rot. Bonds2

About 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene

2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene (PubChem CID 103211270) has the molecular formula C11H5Br2Cl2IS and a molecular weight of 526.85 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene.

Molecular Properties

Compound Name2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene
PubChem CID103211270
Molecular FormulaC11H5Br2Cl2IS
Molecular Weight526.85 g/mol
Exact Mass523.69
IUPAC Name2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene
SMILESClc1cc(C(Br)c2cc(Cl)c(Br)s2)ccc1I
InChIInChI=1S/C11H5Br2Cl2IS/c12-10(9-4-7(15)11(13)17-9)5-1-2-8(16)6(14)3-5/h1-4,10H
InChIKeyVDXZNMNBWZWQDM-UHFFFAOYSA-N
XLogP6.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.85
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[bromo-(3-chloro-4-fluorophenyl)methyl]-3-chlorothiophene
CID 82879819
2-bromo-5-[bromo-(4-chloro-3-fluorophenyl)methyl]-3-chlorothiophene
CID 107992049
(3-chloro-4-iodophenyl)-(4,5-dibromothiophen-2-yl)methanamine
CID 103220480
2-bromo-5-[chloro-(3-chloro-4-iodophenyl)methyl]thiophene
CID 103210763
2-bromo-5-[bromo-[4-(difluoromethoxy)phenyl]methyl]-3-chlorothiophene
CID 80532648
2-[bromo-(5-bromo-4-chlorothiophen-2-yl)methyl]-5-chlorofuran
CID 106689187
1-(5-bromo-4-chlorothiophen-2-yl)-1-(4-iodophenyl)-N-methylmethanamine
CID 80531186
2-bromo-3-chloro-5-[chloro-(3,4-dimethylphenyl)methyl]thiophene
CID 80533320
3-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-2-methylthiophene
CID 102835918
2-bromo-5-[bromo-(2-chloro-4-methylphenyl)methyl]-3-chlorothiophene
CID 106863221
4-[bromo-(3-chloro-4-iodophenyl)methyl]-1,2-dimethoxybenzene
CID 103210804
2-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-3-chlorothiophene
CID 80533517

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene?
The IUPAC name of 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene (CID 103211270) is 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene.
What is the SMILES notation for 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene?
The canonical SMILES for 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene is Clc1cc(C(Br)c2cc(Cl)c(Br)s2)ccc1I.
What is the InChIKey of 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene?
The InChIKey is VDXZNMNBWZWQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl2IS/c12-10(9-4-7(15)11(13)17-9)5-1-2-8(16)6(14)3-5/h1-4,10H.
What are the key properties of 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene?
2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene has a molecular weight of 526.85 g/mol, XLogP of 6.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(3-chloro-4-iodophenyl)methyl]-3-chlorothiophene is sourced from PubChem (CID 103211270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).