4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one

C15H12FNO2S — CID 59702054

IUPAC4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one
SMILESCc1c(O)c2sccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C15H12FNO2S/c1-9-13(18)14-12(5-6-20-14)17(15(9)19)8-10-3-2-4-11(16)7-10/h2-7,18H,8H2,1H3
InChIKeyHXYYBNSZQCFZKG-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.26
Rot. Bonds2

About 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one

4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one (PubChem CID 59702054) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one
PubChem CID59702054
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one
SMILESCc1c(O)c2sccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C15H12FNO2S/c1-9-13(18)14-12(5-6-20-14)17(15(9)19)8-10-3-2-4-11(16)7-10/h2-7,18H,8H2,1H3
InChIKeyHXYYBNSZQCFZKG-UHFFFAOYSA-N
XLogP3.26
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one (CID 59702054) is 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one is Cc1c(O)c2sccc2n(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one?
The InChIKey is HXYYBNSZQCFZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c1-9-13(18)14-12(5-6-20-14)17(15(9)19)8-10-3-2-4-11(16)7-10/h2-7,18H,8H2,1H3.
What are the key properties of 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one?
4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one has a molecular weight of 289.33 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-7-hydroxy-6-methylthieno[3,2-b]pyridin-5-one is sourced from PubChem (CID 59702054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).