(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone

C15H7BrClIOS — CID 103219795

IUPAC(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1csc2c(Br)cccc12
InChIInChI=1S/C15H7BrClIOS/c16-11-3-1-2-9-10(7-20-15(9)11)14(19)8-4-5-13(18)12(17)6-8/h1-7H
InChIKeyQZBVMNQISGFLKA-UHFFFAOYSA-N
MW477.55 g/mol
LogP6.15
Rot. Bonds2

About (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone

(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone (PubChem CID 103219795) has the molecular formula C15H7BrClIOS and a molecular weight of 477.55 g/mol. Its IUPAC name is (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone.

Molecular Properties

Compound Name(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone
PubChem CID103219795
Molecular FormulaC15H7BrClIOS
Molecular Weight477.55 g/mol
Exact Mass475.81
IUPAC Name(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1csc2c(Br)cccc12
InChIInChI=1S/C15H7BrClIOS/c16-11-3-1-2-9-10(7-20-15(9)11)14(19)8-4-5-13(18)12(17)6-8/h1-7H
InChIKeyQZBVMNQISGFLKA-UHFFFAOYSA-N
XLogP6.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.55
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7-bromo-1-benzothiophen-3-yl)-(3-fluoro-4-methylphenyl)methanone
CID 81142563
(7-bromo-1-benzothiophen-3-yl)-(2,3-dichlorophenyl)methanone
CID 81141972
(7-bromo-1-benzothiophen-3-yl)-(3-methoxy-4-methylphenyl)methanone
CID 81131811
(7-bromo-1-benzothiophen-3-yl)-thiophen-3-ylmethanone
CID 81142488
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(7-bromo-1-benzothiophen-3-yl)-(2,4-diaminophenyl)methanone
CID 81148188
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanamine
CID 103220494
1-(7-bromo-1-benzothiophen-3-yl)-3-chloropropan-1-one
CID 104645888
1-(7-bromo-1-benzothiophen-3-yl)-2,2,2-trifluoroethanone
CID 81429856
(3-amino-2,5-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 107123742
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617
(3-amino-2,6-difluorophenyl)-(7-bromo-1-benzothiophen-3-yl)methanone
CID 81129607

Frequently Asked Questions

What is the IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone?
The IUPAC name of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone (CID 103219795) is (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone.
What is the SMILES notation for (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone?
The canonical SMILES for (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone is O=C(c1ccc(I)c(Cl)c1)c1csc2c(Br)cccc12.
What is the InChIKey of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone?
The InChIKey is QZBVMNQISGFLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClIOS/c16-11-3-1-2-9-10(7-20-15(9)11)14(19)8-4-5-13(18)12(17)6-8/h1-7H.
What are the key properties of (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone?
(7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone has a molecular weight of 477.55 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-1-benzothiophen-3-yl)-(3-chloro-4-iodophenyl)methanone is sourced from PubChem (CID 103219795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).