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

C14H13NO3S — CID 42556223

IUPAC(7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1O
InChIInChI=1S/C14H13NO3S/c1-18-12-3-2-8(6-11(12)16)9-7-13(17)15-10-4-5-19-14(9)10/h2-6,9,16H,7H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyOGEOFNXXAUHJQL-SECBINFHSA-N
MW275.33 g/mol
LogP2.94
Rot. Bonds2

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

(7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (PubChem CID 42556223) has the molecular formula C14H13NO3S and a molecular weight of 275.33 g/mol. Its IUPAC name is (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name(7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
PubChem CID42556223
Molecular FormulaC14H13NO3S
Molecular Weight275.33 g/mol
Exact Mass275.06
IUPAC Name(7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one
SMILESCOc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1O
InChIInChI=1S/C14H13NO3S/c1-18-12-3-2-8(6-11(12)16)9-7-13(17)15-10-4-5-19-14(9)10/h2-6,9,16H,7H2,1H3,(H,15,17)/t9-/m1/s1
InChIKeyOGEOFNXXAUHJQL-SECBINFHSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The IUPAC name of (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one (CID 42556223) is (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one.
What is the SMILES notation for (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The canonical SMILES for (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is COc1ccc([C@H]2CC(=O)Nc3ccsc32)cc1O.
What is the InChIKey of (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
The InChIKey is OGEOFNXXAUHJQL-SECBINFHSA-N. The full InChI is InChI=1S/C14H13NO3S/c1-18-12-3-2-8(6-11(12)16)9-7-13(17)15-10-4-5-19-14(9)10/h2-6,9,16H,7H2,1H3,(H,15,17)/t9-/m1/s1.
What are the key properties of (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one?
(7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one has a molecular weight of 275.33 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-(3-hydroxy-4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 42556223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).