(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone

C11H4BrCl3OS — CID 43378893

IUPAC(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4BrCl3OS/c12-5-1-2-8(13)6(3-5)10(16)7-4-9(14)17-11(7)15/h1-4H
InChIKeyUZJGGUFUIQXPGI-UHFFFAOYSA-N
MW370.48 g/mol
LogP5.70
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone

(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (PubChem CID 43378893) has the molecular formula C11H4BrCl3OS and a molecular weight of 370.48 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
PubChem CID43378893
Molecular FormulaC11H4BrCl3OS
Molecular Weight370.48 g/mol
Exact Mass367.82
IUPAC Name(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
SMILESO=C(c1cc(Br)ccc1Cl)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H4BrCl3OS/c12-5-1-2-8(13)6(3-5)10(16)7-4-9(14)17-11(7)15/h1-4H
InChIKeyUZJGGUFUIQXPGI-UHFFFAOYSA-N
XLogP5.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dibromophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949791
(2-chloro-4-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43344763
(2-chloro-4,5-dimethoxyphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107959921
(3-bromo-2-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107949792
(4-chloro-3-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 107998276
(3-bromo-5-fluorophenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 43248312
(4-bromo-2-chlorophenyl)-(2,5-dichlorophenyl)methanone
CID 43805120
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(5-bromo-2-iodophenyl)-(2,5-dichlorophenyl)methanone
CID 114032403
(5-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43378824
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
N-(5-bromo-2-pyridinyl)-2,5-dichlorothiophene-3-carboxamide
CID 103604536

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The IUPAC name of (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone (CID 43378893) is (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The canonical SMILES for (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is O=C(c1cc(Br)ccc1Cl)c1cc(Cl)sc1Cl.
What is the InChIKey of (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
The InChIKey is UZJGGUFUIQXPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrCl3OS/c12-5-1-2-8(13)6(3-5)10(16)7-4-9(14)17-11(7)15/h1-4H.
What are the key properties of (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone?
(5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone has a molecular weight of 370.48 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-(2,5-dichlorothiophen-3-yl)methanone is sourced from PubChem (CID 43378893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).