(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone

C13H6BrCl2IO — CID 114032403

IUPAC(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1I
InChIInChI=1S/C13H6BrCl2IO/c14-7-1-4-12(17)10(5-7)13(18)9-6-8(15)2-3-11(9)16/h1-6H
InChIKeyWZJLGEFEYVTMMG-UHFFFAOYSA-N
MW455.90 g/mol
LogP5.59
Rot. Bonds2

About (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone

(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone (PubChem CID 114032403) has the molecular formula C13H6BrCl2IO and a molecular weight of 455.90 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
PubChem CID114032403
Molecular FormulaC13H6BrCl2IO
Molecular Weight455.90 g/mol
Exact Mass453.80
IUPAC Name(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
SMILESO=C(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1I
InChIInChI=1S/C13H6BrCl2IO/c14-7-1-4-12(17)10(5-7)13(18)9-6-8(15)2-3-11(9)16/h1-6H
InChIKeyWZJLGEFEYVTMMG-UHFFFAOYSA-N
XLogP5.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.90
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(5-bromo-2-iodophenyl)-(2,4-dichlorophenyl)methanone
CID 114032798
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(4-bromo-2-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 43629690
(5-bromo-2-iodophenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 114032826
2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-iodophenyl)ethanone
CID 114029972
(4-bromo-2-methoxyphenyl)-(2,5-dichlorophenyl)methanone
CID 115368770
(2,4-dichlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43344575
(5-bromo-2-fluorophenyl)-(4-chloro-2-fluorophenyl)methanone
CID 79743347
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(5-chloro-2-iodophenyl)-(2,4-difluoro-5-methylphenyl)methanone
CID 114030596
5-bromo-N-(2-chloro-5-fluorophenyl)-2-iodobenzamide
CID 113231143
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone?
The IUPAC name of (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone (CID 114032403) is (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone.
What is the SMILES notation for (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone?
The canonical SMILES for (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone is O=C(c1cc(Cl)ccc1Cl)c1cc(Br)ccc1I.
What is the InChIKey of (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone?
The InChIKey is WZJLGEFEYVTMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrCl2IO/c14-7-1-4-12(17)10(5-7)13(18)9-6-8(15)2-3-11(9)16/h1-6H.
What are the key properties of (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone?
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone has a molecular weight of 455.90 g/mol, XLogP of 5.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone is sourced from PubChem (CID 114032403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).