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

C11H6BrCl2IS — CID 102836626

IUPAC3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
SMILESClc1sc(C(Cl)c2ccccc2I)cc1Br
InChIInChI=1S/C11H6BrCl2IS/c12-7-5-9(16-11(7)14)10(13)6-3-1-2-4-8(6)15/h1-5,10H
InChIKeyPWIGUSFCBXGXHW-UHFFFAOYSA-N
MW447.95 g/mol
LogP6.10
Rot. Bonds2

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

3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene (PubChem CID 102836626) has the molecular formula C11H6BrCl2IS and a molecular weight of 447.95 g/mol. Its IUPAC name is 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene.

Molecular Properties

Compound Name3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
PubChem CID102836626
Molecular FormulaC11H6BrCl2IS
Molecular Weight447.95 g/mol
Exact Mass445.78
IUPAC Name3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene
SMILESClc1sc(C(Cl)c2ccccc2I)cc1Br
InChIInChI=1S/C11H6BrCl2IS/c12-7-5-9(16-11(7)14)10(13)6-3-1-2-4-8(6)15/h1-5,10H
InChIKeyPWIGUSFCBXGXHW-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.95
LogP ≤ 56.10
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

3-bromo-5-[(2-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836447
3-bromo-2-chloro-5-[chloro-(2-chloro-3-methylphenyl)methyl]thiophene
CID 102836292
3-bromo-2-chloro-5-[chloro-(2,5-dichlorothiophen-3-yl)methyl]thiophene
CID 107965054
2-[(4-bromo-5-chlorothiophen-2-yl)-chloromethyl]furan
CID 102836630
(4-bromo-5-chlorothiophen-2-yl)-(2-chlorophenyl)methanol
CID 102830128
3-[chloro-(2-iodophenyl)methyl]-2,5-dimethylthiophene
CID 63432545
3-bromo-5-[(4-bromo-2-methoxyphenyl)-chloromethyl]-2-chlorothiophene
CID 102836336
1,4-dichloro-2-[chloro-(2-iodophenyl)methyl]benzene
CID 63436203
1-(4-bromo-5-chlorothiophen-2-yl)-1-(2-chlorophenyl)-N-methylmethanamine
CID 102828263
5-[(3-bromo-2-chlorophenyl)-chloromethyl]-2-chloro-3-methylthiophene
CID 102764800
3-bromo-5-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-chlorothiophene
CID 102836567
1-bromo-5-[chloro-(2-iodophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene?
The IUPAC name of 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene (CID 102836626) is 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene.
What is the SMILES notation for 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene?
The canonical SMILES for 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene is Clc1sc(C(Cl)c2ccccc2I)cc1Br.
What is the InChIKey of 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene?
The InChIKey is PWIGUSFCBXGXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2IS/c12-7-5-9(16-11(7)14)10(13)6-3-1-2-4-8(6)15/h1-5,10H.
What are the key properties of 3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene?
3-bromo-2-chloro-5-[chloro-(2-iodophenyl)methyl]thiophene has a molecular weight of 447.95 g/mol, XLogP of 6.10, 2 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-[chloro-(2-iodophenyl)methyl]thiophene is sourced from PubChem (CID 102836626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).