N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

C14H8ClFN2O3S — CID 54734436

IUPACN-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H8ClFN2O3S/c15-7-2-1-6(5-8(7)16)17-13(20)10-11(19)12-9(3-4-22-12)18-14(10)21/h1-5H,(H,17,20)(H2,18,19,21)
InChIKeyVKKYLLSPRDYDGQ-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.34
Rot. Bonds2

About N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide

N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734436) has the molecular formula C14H8ClFN2O3S and a molecular weight of 338.75 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734436
Molecular FormulaC14H8ClFN2O3S
Molecular Weight338.75 g/mol
Exact Mass337.99
IUPAC NameN-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(Cl)c(F)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H8ClFN2O3S/c15-7-2-1-6(5-8(7)16)17-13(20)10-11(19)12-9(3-4-22-12)18-14(10)21/h1-5H,(H,17,20)(H2,18,19,21)
InChIKeyVKKYLLSPRDYDGQ-UHFFFAOYSA-N
XLogP3.34
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.75
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54734436) is N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is O=C(Nc1ccc(Cl)c(F)c1)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is VKKYLLSPRDYDGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O3S/c15-7-2-1-6(5-8(7)16)17-13(20)10-11(19)12-9(3-4-22-12)18-14(10)21/h1-5H,(H,17,20)(H2,18,19,21).
What are the key properties of N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 338.75 g/mol, XLogP of 3.34, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).