2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione

C18H9ClF2N2O2S — CID 67297608

IUPAC2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2sc(Cl)c(-c3cccc(F)c3)c2C(=O)C1(F)c1cccnc1
InChIInChI=1S/C18H9ClF2N2O2S/c19-15-12(9-3-1-5-11(20)7-9)13-14(24)18(21,10-4-2-6-22-8-10)17(25)23-16(13)26-15/h1-8H,(H,23,25)
InChIKeyOHOOZAAXGQYZKQ-UHFFFAOYSA-N
MW390.80 g/mol
LogP4.60
Rot. Bonds2

About 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione

2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione (PubChem CID 67297608) has the molecular formula C18H9ClF2N2O2S and a molecular weight of 390.80 g/mol. Its IUPAC name is 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione.

Molecular Properties

Compound Name2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione
PubChem CID67297608
Molecular FormulaC18H9ClF2N2O2S
Molecular Weight390.80 g/mol
Exact Mass390.00
IUPAC Name2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione
SMILESO=C1Nc2sc(Cl)c(-c3cccc(F)c3)c2C(=O)C1(F)c1cccnc1
InChIInChI=1S/C18H9ClF2N2O2S/c19-15-12(9-3-1-5-11(20)7-9)13-14(24)18(21,10-4-2-6-22-8-10)17(25)23-16(13)26-15/h1-8H,(H,23,25)
InChIKeyOHOOZAAXGQYZKQ-UHFFFAOYSA-N
XLogP4.60
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[2-chloro-5-fluoro-3-(3-fluorophenyl)-4,6-dioxo-7H-thieno[2,3-b]pyridin-5-yl]benzonitrile
CID 67297405
2-chloro-5-(3-fluorophenyl)-3-(4-fluorophenyl)-5-methyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297633
2-chloro-5-(4-fluorophenyl)-5-methyl-3-(3-methylphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53304106
2-chloro-3-(4-fluorophenyl)-5-methyl-5-(3-methylsulfonylphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53303327
2-chloro-3,5-bis(2-fluorophenyl)-5-methyl-7H-thieno[2,3-b]pyridine-4,6-dione;2-chloro-3-(2-fluorophenyl)-5-(3-fluorophenyl)-5-methyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 87345010
5-(3-fluorophenyl)-4-hydroxy-2-pyridin-3-yl-1H-pyrimidin-6-one
CID 79431652
2-chloro-3-(2-fluorophenyl)-5-methyl-5-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 53303064
2-(3-fluorophenyl)-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 136668740
3,4-bis(3-fluorophenyl)pyridine
CID 46313677
2-chloro-5-(3-fluorophenyl)-1,3,4-thiadiazole
CID 13318779
3-[2-[(2-chloro-4-fluorophenyl)methyl]-1,3-dithiolan-2-yl]pyridine
CID 14074436
(7R)-3-(3-fluorophenyl)-7-pyridin-3-yl-6,7-dihydro-4H-[1,2]thiazolo[4,5-b]pyridin-5-one
CID 51688044

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
The IUPAC name of 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione (CID 67297608) is 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione.
What is the SMILES notation for 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
The canonical SMILES for 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione is O=C1Nc2sc(Cl)c(-c3cccc(F)c3)c2C(=O)C1(F)c1cccnc1.
What is the InChIKey of 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
The InChIKey is OHOOZAAXGQYZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9ClF2N2O2S/c19-15-12(9-3-1-5-11(20)7-9)13-14(24)18(21,10-4-2-6-22-8-10)17(25)23-16(13)26-15/h1-8H,(H,23,25).
What are the key properties of 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione?
2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione has a molecular weight of 390.80 g/mol, XLogP of 4.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-3-(3-fluorophenyl)-5-pyridin-3-yl-7H-thieno[2,3-b]pyridine-4,6-dione is sourced from PubChem (CID 67297608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).