(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone

C11H4Br3ClOS — CID 102826777

IUPAC(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)c(Cl)s1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H4Br3ClOS/c12-5-1-2-7(13)6(3-5)10(16)9-4-8(14)11(15)17-9/h1-4H
InChIKeyIFDNLMZSFIPXGN-UHFFFAOYSA-N
MW459.38 g/mol
LogP5.92
Rot. Bonds2

About (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone

(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone (PubChem CID 102826777) has the molecular formula C11H4Br3ClOS and a molecular weight of 459.38 g/mol. Its IUPAC name is (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone.

Molecular Properties

Compound Name(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone
PubChem CID102826777
Molecular FormulaC11H4Br3ClOS
Molecular Weight459.38 g/mol
Exact Mass455.72
IUPAC Name(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone
SMILESO=C(c1cc(Br)c(Cl)s1)c1cc(Br)ccc1Br
InChIInChI=1S/C11H4Br3ClOS/c12-5-1-2-7(13)6(3-5)10(16)9-4-8(14)11(15)17-9/h1-4H
InChIKeyIFDNLMZSFIPXGN-UHFFFAOYSA-N
XLogP5.92
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.38
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-5-chlorothiophen-2-yl)-(2,6-dichlorophenyl)methanone
CID 102826843
(4-bromo-5-chlorothiophen-2-yl)-phenylmethanone
CID 102826743
(4-aminophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837635
(5-bromo-4-chlorothiophen-2-yl)-(5-bromo-2-fluorophenyl)methanone
CID 80531586
(3-amino-5-chlorophenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837630
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43378893
(2-amino-6-methylphenyl)-(4-bromo-5-chlorothiophen-2-yl)methanone
CID 102837614
(4-bromo-3-chloro-2-fluorophenyl)-(4,5-dibromothiophen-2-yl)methanone
CID 106764125
(4,5-dibromothiophen-2-yl)-(2,5-dichlorophenyl)methanone
CID 80532703
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 43805082
(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949791
(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 114368449

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone?
The IUPAC name of (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone (CID 102826777) is (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone.
What is the SMILES notation for (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone?
The canonical SMILES for (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone is O=C(c1cc(Br)c(Cl)s1)c1cc(Br)ccc1Br.
What is the InChIKey of (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone?
The InChIKey is IFDNLMZSFIPXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Br3ClOS/c12-5-1-2-7(13)6(3-5)10(16)9-4-8(14)11(15)17-9/h1-4H.
What are the key properties of (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone?
(4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone has a molecular weight of 459.38 g/mol, XLogP of 5.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chlorothiophen-2-yl)-(2,5-dibromophenyl)methanone is sourced from PubChem (CID 102826777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).