2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone

C11H6Br2ClNOS — CID 112655394

IUPAC2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H6Br2ClNOS/c12-7-4-10(17-11(7)13)9(16)3-6-1-2-15-5-8(6)14/h1-2,4-5H,3H2
InChIKeyBRPIIUYESOYBJQ-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.75
Rot. Bonds3

About 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone

2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone (PubChem CID 112655394) has the molecular formula C11H6Br2ClNOS and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
PubChem CID112655394
Molecular FormulaC11H6Br2ClNOS
Molecular Weight395.50 g/mol
Exact Mass392.82
IUPAC Name2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
SMILESO=C(Cc1ccncc1Cl)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H6Br2ClNOS/c12-7-4-10(17-11(7)13)9(16)3-6-1-2-15-5-8(6)14/h1-2,4-5H,3H2
InChIKeyBRPIIUYESOYBJQ-UHFFFAOYSA-N
XLogP4.75
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
CID 115799108
1-(4,5-dibromothiophen-2-yl)-2-(2,6-dichlorophenyl)ethanone
CID 114966279
1-(4-bromo-3,5-dimethylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 114329680
1-(2-bromofuran-3-yl)-2-(3-chloro-4-pyridinyl)ethanone
CID 106854794
1-(3-bromo-2-methylphenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655349
1-(5-bromo-2-fluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655296
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
1-(4,5-dibromothiophen-2-yl)-2-(2,4-difluorophenyl)ethanone
CID 80532645
1-(4,5-dibromothiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 114963430
[2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethyl]hydrazine
CID 105314841
1-(4-chloro-2,5-difluorophenyl)-2-(3-chloro-4-pyridinyl)ethanone
CID 112655306
1-(5-bromo-4-chlorothiophen-2-yl)-2-(2-methylphenyl)ethanone
CID 80531701

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone (CID 112655394) is 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone is O=C(Cc1ccncc1Cl)c1cc(Br)c(Br)s1.
What is the InChIKey of 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone?
The InChIKey is BRPIIUYESOYBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2ClNOS/c12-7-4-10(17-11(7)13)9(16)3-6-1-2-15-5-8(6)14/h1-2,4-5H,3H2.
What are the key properties of 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone?
2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone has a molecular weight of 395.50 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone is sourced from PubChem (CID 112655394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).