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

C7H3BrFNOS — CID 163320970

IUPAC2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]cc(F)c2cc(Br)sc12
InChIInChI=1S/C7H3BrFNOS/c8-5-1-3-4(9)2-10-7(11)6(3)12-5/h1-2H,(H,10,11)
InChIKeySJGOIFYMYYUOCR-UHFFFAOYSA-N
MW248.08 g/mol
LogP2.49
Rot. Bonds

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

2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one (PubChem CID 163320970) has the molecular formula C7H3BrFNOS and a molecular weight of 248.08 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one
PubChem CID163320970
Molecular FormulaC7H3BrFNOS
Molecular Weight248.08 g/mol
Exact Mass246.91
IUPAC Name2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one
SMILESO=c1[nH]cc(F)c2cc(Br)sc12
InChIInChI=1S/C7H3BrFNOS/c8-5-1-3-4(9)2-10-7(11)6(3)12-5/h1-2H,(H,10,11)
InChIKeySJGOIFYMYYUOCR-UHFFFAOYSA-N
XLogP2.49
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.08
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one?
The IUPAC name of 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one (CID 163320970) is 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one.
What is the SMILES notation for 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one?
The canonical SMILES for 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one is O=c1[nH]cc(F)c2cc(Br)sc12.
What is the InChIKey of 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one?
The InChIKey is SJGOIFYMYYUOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFNOS/c8-5-1-3-4(9)2-10-7(11)6(3)12-5/h1-2H,(H,10,11).
What are the key properties of 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one?
2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one has a molecular weight of 248.08 g/mol, XLogP of 2.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6H-thieno[2,3-c]pyridin-7-one is sourced from PubChem (CID 163320970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).