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

C7H6BrNOS — CID 51341932

IUPAC2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
SMILESO=C1NCCc2cc(Br)sc21
InChIInChI=1S/C7H6BrNOS/c8-5-3-4-1-2-9-7(10)6(4)11-5/h3H,1-2H2,(H,9,10)
InChIKeyWCHRPSHIMRQFRS-UHFFFAOYSA-N
MW232.10 g/mol
LogP1.80
Rot. Bonds

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

2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one (PubChem CID 51341932) has the molecular formula C7H6BrNOS and a molecular weight of 232.10 g/mol. Its IUPAC name is 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
PubChem CID51341932
Molecular FormulaC7H6BrNOS
Molecular Weight232.10 g/mol
Exact Mass230.94
IUPAC Name2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one
SMILESO=C1NCCc2cc(Br)sc21
InChIInChI=1S/C7H6BrNOS/c8-5-3-4-1-2-9-7(10)6(4)11-5/h3H,1-2H2,(H,9,10)
InChIKeyWCHRPSHIMRQFRS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromothieno[3,2-c]pyridin-4(5H)-one
CID 12875893
5-bromo-N-ethylthiophene-2-carboxamide
CID 17148841
4-Oxo-4,5,6,7-tetrahydrothieno-(3,2-C)pyridine
CID 20346858
2-bromo-4H,5H,6H,7H-thieno(3,2-c)pyridin-4-one
CID 56972289
2-Bromothieno(2,3-c)pyridin-7-ol
CID 57649508
2-bromo-4H,5H,6H-thieno(2,3-c)pyrrol-6-one
CID 59023141
4-bromo-6H,7H-thieno[2,3-c]pyridin-7-one
CID 69367698
2-bromo-5-methyl-4H,5H,6H,7H-thieno(3,2-c)pyridin-4-one
CID 84049272
3-bromo-N-(piperidin-4-ylmethyl)thiophene-2-carboxamide
CID 63796952
2-Bromo-4-fluorothieno[2,3-c]pyridin-7(6H)-one
CID 163320970
N-allyl-5-bromothiophene-2-carboxamide
CID 4295906
5-bromo-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 79930057

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one (CID 51341932) is 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one is O=C1NCCc2cc(Br)sc21.
What is the InChIKey of 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
The InChIKey is WCHRPSHIMRQFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrNOS/c8-5-3-4-1-2-9-7(10)6(4)11-5/h3H,1-2H2,(H,9,10).
What are the key properties of 2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one?
2-bromo-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-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-5,6-dihydro-4H-thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 51341932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).