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

C15H10FNO3S — CID 10638142

IUPAC7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid
SMILESCn1c(C(=O)O)c(-c2ccc(F)cc2)c2cscc2c1=O
InChIInChI=1S/C15H10FNO3S/c1-17-13(15(19)20)12(8-2-4-9(16)5-3-8)10-6-21-7-11(10)14(17)18/h2-7H,1H3,(H,19,20)
InChIKeyKDYJVNXVIIAMBE-UHFFFAOYSA-N
MW303.31 g/mol
LogP3.10
Rot. Bonds2

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

7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid (PubChem CID 10638142) has the molecular formula C15H10FNO3S and a molecular weight of 303.31 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid
PubChem CID10638142
Molecular FormulaC15H10FNO3S
Molecular Weight303.31 g/mol
Exact Mass303.04
IUPAC Name7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid
SMILESCn1c(C(=O)O)c(-c2ccc(F)cc2)c2cscc2c1=O
InChIInChI=1S/C15H10FNO3S/c1-17-13(15(19)20)12(8-2-4-9(16)5-3-8)10-6-21-7-11(10)14(17)18/h2-7H,1H3,(H,19,20)
InChIKeyKDYJVNXVIIAMBE-UHFFFAOYSA-N
XLogP3.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid (CID 10638142) is 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid is Cn1c(C(=O)O)c(-c2ccc(F)cc2)c2cscc2c1=O.
What is the InChIKey of 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid?
The InChIKey is KDYJVNXVIIAMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3S/c1-17-13(15(19)20)12(8-2-4-9(16)5-3-8)10-6-21-7-11(10)14(17)18/h2-7H,1H3,(H,19,20).
What are the key properties of 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid?
7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-5-methyl-4-oxothieno[3,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 10638142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).