(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

C13H9F2NOS — CID 42590765

IUPAC(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccc(F)cc2F)c2sccc2N1
InChIInChI=1S/C13H9F2NOS/c14-7-1-2-8(10(15)5-7)9-6-12(17)16-11-3-4-18-13(9)11/h1-5,9H,6H2,(H,16,17)/t9-/m1/s1
InChIKeyVBNMRLWUWZAZBO-SECBINFHSA-N
MW265.28 g/mol
LogP3.50
Rot. Bonds1

About (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one

(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42590765) has the molecular formula C13H9F2NOS and a molecular weight of 265.28 g/mol. Its IUPAC name is (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42590765
Molecular FormulaC13H9F2NOS
Molecular Weight265.28 g/mol
Exact Mass265.04
IUPAC Name(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESO=C1C[C@H](c2ccc(F)cc2F)c2sccc2N1
InChIInChI=1S/C13H9F2NOS/c14-7-1-2-8(10(15)5-7)9-6-12(17)16-11-3-4-18-13(9)11/h1-5,9H,6H2,(H,16,17)/t9-/m1/s1
InChIKeyVBNMRLWUWZAZBO-SECBINFHSA-N
XLogP3.50
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42590765) is (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is O=C1C[C@H](c2ccc(F)cc2F)c2sccc2N1.
What is the InChIKey of (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is VBNMRLWUWZAZBO-SECBINFHSA-N. The full InChI is InChI=1S/C13H9F2NOS/c14-7-1-2-8(10(15)5-7)9-6-12(17)16-11-3-4-18-13(9)11/h1-5,9H,6H2,(H,16,17)/t9-/m1/s1.
What are the key properties of (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 265.28 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(2,4-difluorophenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42590765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).