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

C14H8F2N2O3S — CID 54734399

IUPACN-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H8F2N2O3S/c15-6-1-2-7(16)9(5-6)18-14(21)10-11(19)12-8(3-4-22-12)17-13(10)20/h1-5H,(H,18,21)(H2,17,19,20)
InChIKeyCZXRNOICXJLDDT-UHFFFAOYSA-N
MW322.29 g/mol
LogP2.83
Rot. Bonds2

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

N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734399) has the molecular formula C14H8F2N2O3S and a molecular weight of 322.29 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734399
Molecular FormulaC14H8F2N2O3S
Molecular Weight322.29 g/mol
Exact Mass322.02
IUPAC NameN-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H8F2N2O3S/c15-6-1-2-7(16)9(5-6)18-14(21)10-11(19)12-8(3-4-22-12)17-13(10)20/h1-5H,(H,18,21)(H2,17,19,20)
InChIKeyCZXRNOICXJLDDT-UHFFFAOYSA-N
XLogP2.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54734399) is N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is O=C(Nc1cc(F)ccc1F)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is CZXRNOICXJLDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O3S/c15-6-1-2-7(16)9(5-6)18-14(21)10-11(19)12-8(3-4-22-12)17-13(10)20/h1-5H,(H,18,21)(H2,17,19,20).
What are the key properties of N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide has a molecular weight of 322.29 g/mol, XLogP of 2.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).