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

C14H8ClFN2O3S — CID 54734358

IUPACN-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H8ClFN2O3S/c15-7-5-6(1-2-8(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)
InChIKeyBUEBGTJXXKOLMO-UHFFFAOYSA-N
MW338.75 g/mol
LogP3.34
Rot. Bonds2

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

N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (PubChem CID 54734358) has the molecular formula C14H8ClFN2O3S and a molecular weight of 338.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
PubChem CID54734358
Molecular FormulaC14H8ClFN2O3S
Molecular Weight338.75 g/mol
Exact Mass337.99
IUPAC NameN-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2sccc2[nH]c1=O
InChIInChI=1S/C14H8ClFN2O3S/c15-7-5-6(1-2-8(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)
InChIKeyBUEBGTJXXKOLMO-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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Related Compounds

N-(3-chlorophenyl)-4-hydroxy-1-methyl-2,2-dioxothieno[3,2-c]thiazine-3-carboxamide
CID 54686577
N-(2-chloro-5-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733546
N-(4-chloro-3-(trifluoromethyl)phenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733556
N-(4-fluorophenyl)-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733538
N-(4-fluoro-2-methylphenyl)-7-hydroxy-4-methyl-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733562
N-(2,4-difluorophenyl)-4-ethyl-7-hydroxy-5-oxo-4,5-dihydrothieno[3,2-b]pyridine-6-carboxamide
CID 54733575
N-(2,4-difluorophenyl)-7-hydroxy-N,4-dimethyl-5-oxothieno[3,2-b]pyridine-6-carboxamide
CID 69068688
N-(3-chloro-4-fluorophenyl)-2-(3-cyano-7-hydroxy-5-oxo(4-hydrothiopheno[4,5-b] pyridin-2-ylthio))acetamide
CID 54691660
N-(4-chloro-2-fluorophenyl)-2-(3-cyano-7-hydroxy-5-oxo(4-hydrothiopheno[4,5-b] pyridin-2-ylthio))acetamide
CID 54693342
N-(2-Chloro-4-fluorophenyl)-2-({3-cyano-7-hydroxy-5-oxo-4H-thieno[3,2-B]pyridin-2-YL}sulfanyl)acetamide
CID 54693354
2-[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-3-carboxamide
CID 54727750
2-({2-[(4-Chloro-2-fluorophenyl)amino]-2-oxoethyl}sulfanyl)-5,7-dihydroxythieno[3,2-b]pyridine-3-carboxamide
CID 54728845

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide (CID 54734358) is N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1c(O)c2sccc2[nH]c1=O.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
The InChIKey is BUEBGTJXXKOLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O3S/c15-7-5-6(1-2-8(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-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide?
N-(3-chloro-4-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-(3-chloro-4-fluorophenyl)-7-hydroxy-5-oxo-4H-thieno[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 54734358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).