4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C15H10FNO4S — CID 138512732

IUPAC4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cccc(F)c2)c2ccsc12
InChIInChI=1S/C15H10FNO4S/c16-9-3-1-2-8(6-9)7-17-10-4-5-22-13(10)11(15(20)21)12(18)14(17)19/h1-6,18H,7H2,(H,20,21)
InChIKeyNKMOEVRSSRBOAJ-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.65
Rot. Bonds3

About 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138512732) has the molecular formula C15H10FNO4S and a molecular weight of 319.31 g/mol. Its IUPAC name is 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138512732
Molecular FormulaC15H10FNO4S
Molecular Weight319.31 g/mol
Exact Mass319.03
IUPAC Name4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1c(O)c(=O)n(Cc2cccc(F)c2)c2ccsc12
InChIInChI=1S/C15H10FNO4S/c16-9-3-1-2-8(6-9)7-17-10-4-5-22-13(10)11(15(20)21)12(18)14(17)19/h1-6,18H,7H2,(H,20,21)
InChIKeyNKMOEVRSSRBOAJ-UHFFFAOYSA-N
XLogP2.65
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138512732) is 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is O=C(O)c1c(O)c(=O)n(Cc2cccc(F)c2)c2ccsc12.
What is the InChIKey of 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is NKMOEVRSSRBOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO4S/c16-9-3-1-2-8(6-9)7-17-10-4-5-22-13(10)11(15(20)21)12(18)14(17)19/h1-6,18H,7H2,(H,20,21).
What are the key properties of 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 319.31 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-fluorophenyl)methyl]-6-hydroxy-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138512732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).