1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone

C11H7Br2NOS — CID 115799108

IUPAC1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H7Br2NOS/c12-8-5-10(16-11(8)13)9(15)4-7-2-1-3-14-6-7/h1-3,5-6H,4H2
InChIKeyWSUAHDCZBAHVRC-UHFFFAOYSA-N
MW361.06 g/mol
LogP4.09
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone

1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone (PubChem CID 115799108) has the molecular formula C11H7Br2NOS and a molecular weight of 361.06 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
PubChem CID115799108
Molecular FormulaC11H7Br2NOS
Molecular Weight361.06 g/mol
Exact Mass358.86
IUPAC Name1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone
SMILESO=C(Cc1cccnc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C11H7Br2NOS/c12-8-5-10(16-11(8)13)9(15)4-7-2-1-3-14-6-7/h1-3,5-6H,4H2
InChIKeyWSUAHDCZBAHVRC-UHFFFAOYSA-N
XLogP4.09
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.06
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-pyridinyl)-1-(4,5-dibromothiophen-2-yl)ethanone
CID 112655394
1-(4,5-dibromothiophen-2-yl)-2-(4-fluorophenyl)ethanone
CID 80532635
1-(4-bromo-3-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799223
1-(2-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 115799145
1-(4,5-dibromothiophen-2-yl)-2-[4-(trifluoromethyl)phenyl]ethanone
CID 80532396
1-(5-iodothiophen-3-yl)-2-pyridin-3-ylethanone
CID 115799235
2-pyridin-3-yl-1-[5-(2-pyridin-3-ylethynyl)thiophen-2-yl]ethanone
CID 141207398
1-[5-(4-isocyanophenyl)thiophen-2-yl]-2-pyridin-3-ylethanone
CID 159165959
1-(5-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799150
1-(3-bromo-5-fluorophenyl)-2-pyridin-3-ylethanone
CID 104735987
1-(4-bromo-2-methylphenyl)-2-pyridin-3-ylethanone
CID 115799222
2-pyridin-3-yl-1-pyrimidin-5-ylethanone
CID 62553059

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone (CID 115799108) is 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone is O=C(Cc1cccnc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone?
The InChIKey is WSUAHDCZBAHVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2NOS/c12-8-5-10(16-11(8)13)9(15)4-7-2-1-3-14-6-7/h1-3,5-6H,4H2.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone?
1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone has a molecular weight of 361.06 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-2-pyridin-3-ylethanone is sourced from PubChem (CID 115799108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).