2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

C7H6BrNOS — CID 56972289

IUPAC2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESO=C1NCCc2sc(Br)cc21
InChIInChI=1S/C7H6BrNOS/c8-6-3-4-5(11-6)1-2-9-7(4)10/h3H,1-2H2,(H,9,10)
InChIKeyLFAFLPSPMUUPIX-UHFFFAOYSA-N
MW232.10 g/mol
LogP1.80
Rot. Bonds

About 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one

2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 56972289) has the molecular formula C7H6BrNOS and a molecular weight of 232.10 g/mol. Its IUPAC name is 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
PubChem CID56972289
Molecular FormulaC7H6BrNOS
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one
SMILESO=C1NCCc2sc(Br)cc21
InChIInChI=1S/C7H6BrNOS/c8-6-3-4-5(11-6)1-2-9-7(4)10/h3H,1-2H2,(H,9,10)
InChIKeyLFAFLPSPMUUPIX-UHFFFAOYSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.10
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one (CID 56972289) is 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is O=C1NCCc2sc(Br)cc21.
What is the InChIKey of 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is LFAFLPSPMUUPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNOS/c8-6-3-4-5(11-6)1-2-9-7(4)10/h3H,1-2H2,(H,9,10).
What are the key properties of 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one?
2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 232.10 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6,7-dihydro-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 56972289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).