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

C7H4BrNOS — CID 18450796

IUPAC3-bromo-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2scc(Br)c12
InChIInChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3H,(H,9,10)
InChIKeyAMWQWPCIUPRUFH-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.35
Rot. Bonds

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

3-bromo-5H-thieno[3,2-c]pyridin-4-one (PubChem CID 18450796) has the molecular formula C7H4BrNOS and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-bromo-5H-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-bromo-5H-thieno[3,2-c]pyridin-4-one
PubChem CID18450796
Molecular FormulaC7H4BrNOS
Molecular Weight230.09 g/mol
Exact Mass228.92
IUPAC Name3-bromo-5H-thieno[3,2-c]pyridin-4-one
SMILESO=c1[nH]ccc2scc(Br)c12
InChIInChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3H,(H,9,10)
InChIKeyAMWQWPCIUPRUFH-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4H,5H-thieno(3,2-c)pyridin-4-one
CID 288525
6H,7H-thieno[2,3-c]pyridin-7-one
CID 4983386
7-bromo-4H,5H-thieno[3,2-c]pyridin-4-one
CID 286696
2-bromothieno[3,2-c]pyridin-4(5H)-one
CID 12875893
2-Bromothieno(2,3-c)pyridin-7-ol
CID 57649508
4-bromo-6H,7H-thieno[2,3-c]pyridin-7-one
CID 69367698
3-bromo-6H,7H-thieno[2,3-c]pyridin-7-one
CID 124700916
3-bromo-2-methylthieno(2,3-c)pyridin-7(6H)-one
CID 132343941
2-Bromo-4-fluorothieno[2,3-c]pyridin-7(6H)-one
CID 163320970
3-Bromo-7-fluoro-5-methylthieno[3,2-c]pyridin-4-one
CID 171437632
4-fluoro-6H-thieno[2,3-c]pyridin-7-one
CID 178660612
3-fluoro-5H-thieno[3,2-c]pyridin-4-one
CID 179056732

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5H-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-bromo-5H-thieno[3,2-c]pyridin-4-one (CID 18450796) is 3-bromo-5H-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-bromo-5H-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-bromo-5H-thieno[3,2-c]pyridin-4-one is O=c1[nH]ccc2scc(Br)c12.
What is the InChIKey of 3-bromo-5H-thieno[3,2-c]pyridin-4-one?
The InChIKey is AMWQWPCIUPRUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3H,(H,9,10).
What are the key properties of 3-bromo-5H-thieno[3,2-c]pyridin-4-one?
3-bromo-5H-thieno[3,2-c]pyridin-4-one has a molecular weight of 230.09 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5H-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 18450796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).