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

C15H9ClFNO3S — CID 140517839

IUPAC7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1c(Cl)c2sccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C15H9ClFNO3S/c16-12-11(15(20)21)14(19)18(10-4-5-22-13(10)12)7-8-2-1-3-9(17)6-8/h1-6H,7H2,(H,20,21)
InChIKeyYRSZAKGIFLHDSP-UHFFFAOYSA-N
MW337.76 g/mol
LogP3.60
Rot. Bonds3

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

7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid (PubChem CID 140517839) has the molecular formula C15H9ClFNO3S and a molecular weight of 337.76 g/mol. Its IUPAC name is 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
PubChem CID140517839
Molecular FormulaC15H9ClFNO3S
Molecular Weight337.76 g/mol
Exact Mass337.00
IUPAC Name7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1c(Cl)c2sccc2n(Cc2cccc(F)c2)c1=O
InChIInChI=1S/C15H9ClFNO3S/c16-12-11(15(20)21)14(19)18(10-4-5-22-13(10)12)7-8-2-1-3-9(17)6-8/h1-6H,7H2,(H,20,21)
InChIKeyYRSZAKGIFLHDSP-UHFFFAOYSA-N
XLogP3.60
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid?
The IUPAC name of 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid (CID 140517839) is 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid?
The canonical SMILES for 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid is O=C(O)c1c(Cl)c2sccc2n(Cc2cccc(F)c2)c1=O.
What is the InChIKey of 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid?
The InChIKey is YRSZAKGIFLHDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClFNO3S/c16-12-11(15(20)21)14(19)18(10-4-5-22-13(10)12)7-8-2-1-3-9(17)6-8/h1-6H,7H2,(H,20,21).
What are the key properties of 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid?
7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid has a molecular weight of 337.76 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(3-fluorophenyl)methyl]-5-oxothieno[3,2-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 140517839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).