1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

C9H10BrNOS — CID 130695199

IUPAC1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sc(Br)cc2C1
InChIInChI=1S/C9H10BrNOS/c1-6(12)11-3-2-8-7(5-11)4-9(10)13-8/h4H,2-3,5H2,1H3
InChIKeyNZMAHIOJTBTLOA-UHFFFAOYSA-N
MW260.16 g/mol
LogP2.42
Rot. Bonds

About 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone

1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (PubChem CID 130695199) has the molecular formula C9H10BrNOS and a molecular weight of 260.16 g/mol. Its IUPAC name is 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
PubChem CID130695199
Molecular FormulaC9H10BrNOS
Molecular Weight260.16 g/mol
Exact Mass258.97
IUPAC Name1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
SMILESCC(=O)N1CCc2sc(Br)cc2C1
InChIInChI=1S/C9H10BrNOS/c1-6(12)11-3-2-8-7(5-11)4-9(10)13-8/h4H,2-3,5H2,1H3
InChIKeyNZMAHIOJTBTLOA-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.16
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The IUPAC name of 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone (CID 130695199) is 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The canonical SMILES for 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is CC(=O)N1CCc2sc(Br)cc2C1.
What is the InChIKey of 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
The InChIKey is NZMAHIOJTBTLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNOS/c1-6(12)11-3-2-8-7(5-11)4-9(10)13-8/h4H,2-3,5H2,1H3.
What are the key properties of 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone?
1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone has a molecular weight of 260.16 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 130695199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).