2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone

C14H12BrNOS — CID 115801067

IUPAC2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cc2c(s1)CCC2
InChIInChI=1S/C14H12BrNOS/c15-10-4-5-11(16-8-10)7-12(17)14-6-9-2-1-3-13(9)18-14/h4-6,8H,1-3,7H2
InChIKeyMUYICWBQIJJQKO-UHFFFAOYSA-N
MW322.23 g/mol
LogP3.82
Rot. Bonds3

About 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone

2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone (PubChem CID 115801067) has the molecular formula C14H12BrNOS and a molecular weight of 322.23 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
PubChem CID115801067
Molecular FormulaC14H12BrNOS
Molecular Weight322.23 g/mol
Exact Mass320.98
IUPAC Name2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
SMILESO=C(Cc1ccc(Br)cn1)c1cc2c(s1)CCC2
InChIInChI=1S/C14H12BrNOS/c15-10-4-5-11(16-8-10)7-12(17)14-6-9-2-1-3-13(9)18-14/h4-6,8H,1-3,7H2
InChIKeyMUYICWBQIJJQKO-UHFFFAOYSA-N
XLogP3.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.23
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-2-yl)-1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethanone
CID 114969462
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-quinolin-4-ylethanone
CID 114979759
2-(4-fluorophenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 61079517
2-(2,4-dichlorophenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114967197
2-(3-bromo-4-methoxyphenyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone
CID 114964713
N-(5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbonyl)-N-(5-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 4061084
2-(5-bromo-2-pyridinyl)-1-(cyclohepten-1-yl)ethanone
CID 103450574
2-amino-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 10657175
1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376758
2-(3,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 114963218
5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl(1,3-thiazol-4-yl)methanone
CID 130908674
2-(2,5-dimethylphenyl)-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanone
CID 63527004

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone (CID 115801067) is 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone is O=C(Cc1ccc(Br)cn1)c1cc2c(s1)CCC2.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
The InChIKey is MUYICWBQIJJQKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNOS/c15-10-4-5-11(16-8-10)7-12(17)14-6-9-2-1-3-13(9)18-14/h4-6,8H,1-3,7H2.
What are the key properties of 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone?
2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone has a molecular weight of 322.23 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethanone is sourced from PubChem (CID 115801067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).