1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one

C10H8BrNO2S — CID 22008809

IUPAC1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C10H8BrNO2S/c11-8-3-6-15-9(8)10(14)12-4-1-7(13)2-5-12/h1,3-4,6H,2,5H2
InChIKeyWLZUNMKBKCVRQY-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.44
Rot. Bonds1

About 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one

1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one (PubChem CID 22008809) has the molecular formula C10H8BrNO2S and a molecular weight of 286.15 g/mol. Its IUPAC name is 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one
PubChem CID22008809
Molecular FormulaC10H8BrNO2S
Molecular Weight286.15 g/mol
Exact Mass284.95
IUPAC Name1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one
SMILESO=C1C=CN(C(=O)c2sccc2Br)CC1
InChIInChI=1S/C10H8BrNO2S/c11-8-3-6-15-9(8)10(14)12-4-1-7(13)2-5-12/h1,3-4,6H,2,5H2
InChIKeyWLZUNMKBKCVRQY-UHFFFAOYSA-N
XLogP2.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one?
The IUPAC name of 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one (CID 22008809) is 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one.
What is the SMILES notation for 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one?
The canonical SMILES for 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one is O=C1C=CN(C(=O)c2sccc2Br)CC1.
What is the InChIKey of 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one?
The InChIKey is WLZUNMKBKCVRQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO2S/c11-8-3-6-15-9(8)10(14)12-4-1-7(13)2-5-12/h1,3-4,6H,2,5H2.
What are the key properties of 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one?
1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one has a molecular weight of 286.15 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophene-2-carbonyl)-2,3-dihydropyridin-4-one is sourced from PubChem (CID 22008809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).