(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone

C11H6BrClOS — CID 105081417

IUPAC(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
SMILESO=C(c1csc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C11H6BrClOS/c12-10-5-7(6-15-10)11(14)8-3-1-2-4-9(8)13/h1-6H
InChIKeyJUWCJKAPFZHNIM-UHFFFAOYSA-N
MW301.59 g/mol
LogP4.39
Rot. Bonds2

About (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone

(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone (PubChem CID 105081417) has the molecular formula C11H6BrClOS and a molecular weight of 301.59 g/mol. Its IUPAC name is (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone.

Molecular Properties

Compound Name(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
PubChem CID105081417
Molecular FormulaC11H6BrClOS
Molecular Weight301.59 g/mol
Exact Mass299.90
IUPAC Name(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone
SMILESO=C(c1csc(Br)c1)c1ccccc1Cl
InChIInChI=1S/C11H6BrClOS/c12-10-5-7(6-15-10)11(14)8-3-1-2-4-9(8)13/h1-6H
InChIKeyJUWCJKAPFZHNIM-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.59
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-bromothiophen-3-yl)-(2-methylphenyl)methanone
CID 105080186
(5-bromothiophen-3-yl)-(4-methylnaphthalen-1-yl)methanone
CID 107960064
(5-bromo-4-chlorothiophen-2-yl)-(5-bromothiophen-3-yl)methanone
CID 107960103
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
(5-bromothiophen-3-yl)-[2-chloro-6-(trifluoromethyl)-3-pyridinyl]methanone
CID 106971886
(5-bromothiophen-3-yl)-(1-methylindol-3-yl)methanone
CID 107959895
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(4-amino-2-methylphenyl)-(5-bromothiophen-3-yl)methanone
CID 107966500
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(5-chlorothiophen-3-yl)-(2-fluorophenyl)methanone
CID 130815562
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
5-bromo-N-(2-chloro-4-methylphenyl)thiophene-3-carboxamide
CID 43424548

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone?
The IUPAC name of (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone (CID 105081417) is (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone.
What is the SMILES notation for (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone?
The canonical SMILES for (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone is O=C(c1csc(Br)c1)c1ccccc1Cl.
What is the InChIKey of (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone?
The InChIKey is JUWCJKAPFZHNIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClOS/c12-10-5-7(6-15-10)11(14)8-3-1-2-4-9(8)13/h1-6H.
What are the key properties of (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone?
(5-bromothiophen-3-yl)-(2-chlorophenyl)methanone has a molecular weight of 301.59 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-3-yl)-(2-chlorophenyl)methanone is sourced from PubChem (CID 105081417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).