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

C7H4BrNOS — CID 73446382

IUPAC3-bromo-3aH-thieno[3,2-c]pyridin-4-one
SMILESO=C1N=CC=C2SC=C(Br)C12
InChIInChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3,6H
InChIKeyKSLVUFHMMIBTAM-UHFFFAOYSA-N
MW230.09 g/mol
LogP2.08
Rot. Bonds

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

3-bromo-3aH-thieno[3,2-c]pyridin-4-one (PubChem CID 73446382) has the molecular formula C7H4BrNOS and a molecular weight of 230.09 g/mol. Its IUPAC name is 3-bromo-3aH-thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name3-bromo-3aH-thieno[3,2-c]pyridin-4-one
PubChem CID73446382
Molecular FormulaC7H4BrNOS
Molecular Weight230.09 g/mol
Exact Mass228.92
IUPAC Name3-bromo-3aH-thieno[3,2-c]pyridin-4-one
SMILESO=C1N=CC=C2SC=C(Br)C12
InChIInChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3,6H
InChIKeyKSLVUFHMMIBTAM-UHFFFAOYSA-N
XLogP2.08
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.09
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-3aH-thieno[3,2-c]pyridin-4-one?
The IUPAC name of 3-bromo-3aH-thieno[3,2-c]pyridin-4-one (CID 73446382) is 3-bromo-3aH-thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 3-bromo-3aH-thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 3-bromo-3aH-thieno[3,2-c]pyridin-4-one is O=C1N=CC=C2SC=C(Br)C12.
What is the InChIKey of 3-bromo-3aH-thieno[3,2-c]pyridin-4-one?
The InChIKey is KSLVUFHMMIBTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrNOS/c8-4-3-11-5-1-2-9-7(10)6(4)5/h1-3,6H.
What are the key properties of 3-bromo-3aH-thieno[3,2-c]pyridin-4-one?
3-bromo-3aH-thieno[3,2-c]pyridin-4-one has a molecular weight of 230.09 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3aH-thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 73446382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).