4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one

C15H11ClFNOS — CID 141156712

IUPAC4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one
SMILESCc1cc2c(Cl)cc(=O)n(Cc3cccc(F)c3)c2s1
InChIInChI=1S/C15H11ClFNOS/c1-9-5-12-13(16)7-14(19)18(15(12)20-9)8-10-3-2-4-11(17)6-10/h2-7H,8H2,1H3
InChIKeyNPAUJAACACXINK-UHFFFAOYSA-N
MW307.78 g/mol
LogP4.21
Rot. Bonds2

About 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one

4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one (PubChem CID 141156712) has the molecular formula C15H11ClFNOS and a molecular weight of 307.78 g/mol. Its IUPAC name is 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one
PubChem CID141156712
Molecular FormulaC15H11ClFNOS
Molecular Weight307.78 g/mol
Exact Mass307.02
IUPAC Name4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one
SMILESCc1cc2c(Cl)cc(=O)n(Cc3cccc(F)c3)c2s1
InChIInChI=1S/C15H11ClFNOS/c1-9-5-12-13(16)7-14(19)18(15(12)20-9)8-10-3-2-4-11(17)6-10/h2-7H,8H2,1H3
InChIKeyNPAUJAACACXINK-UHFFFAOYSA-N
XLogP4.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one?
The IUPAC name of 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one (CID 141156712) is 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one?
The canonical SMILES for 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one is Cc1cc2c(Cl)cc(=O)n(Cc3cccc(F)c3)c2s1.
What is the InChIKey of 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one?
The InChIKey is NPAUJAACACXINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNOS/c1-9-5-12-13(16)7-14(19)18(15(12)20-9)8-10-3-2-4-11(17)6-10/h2-7H,8H2,1H3.
What are the key properties of 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one?
4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one has a molecular weight of 307.78 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-[(3-fluorophenyl)methyl]-2-methylthieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 141156712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).