(4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone

C20H11ClFNOS — CID 118708386

IUPAC(4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H11ClFNOS/c21-14-7-3-13(4-8-14)18(24)19-17(12-5-9-15(22)10-6-12)16-2-1-11-23-20(16)25-19/h1-11H
InChIKeyKIPIDTOPDPQPPF-UHFFFAOYSA-N
MW367.83 g/mol
LogP5.99
Rot. Bonds3

About (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone

(4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone (PubChem CID 118708386) has the molecular formula C20H11ClFNOS and a molecular weight of 367.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone
PubChem CID118708386
Molecular FormulaC20H11ClFNOS
Molecular Weight367.83 g/mol
Exact Mass367.02
IUPAC Name(4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone
SMILESO=C(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1
InChIInChI=1S/C20H11ClFNOS/c21-14-7-3-13(4-8-14)18(24)19-17(12-5-9-15(22)10-6-12)16-2-1-11-23-20(16)25-19/h1-11H
InChIKeyKIPIDTOPDPQPPF-UHFFFAOYSA-N
XLogP5.99
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.83
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone (CID 118708386) is (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone is O=C(c1ccc(Cl)cc1)c1sc2ncccc2c1-c1ccc(F)cc1.
What is the InChIKey of (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone?
The InChIKey is KIPIDTOPDPQPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11ClFNOS/c21-14-7-3-13(4-8-14)18(24)19-17(12-5-9-15(22)10-6-12)16-2-1-11-23-20(16)25-19/h1-11H.
What are the key properties of (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone?
(4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone has a molecular weight of 367.83 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[3-(4-fluorophenyl)thieno[2,3-b]pyridin-2-yl]methanone is sourced from PubChem (CID 118708386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).