7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one

C17H10FNOS — CID 86722268

IUPAC7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c1sc1cc(F)ccc12
InChIInChI=1S/C17H10FNOS/c18-11-6-7-12-15(8-11)21-17-14(20)9-13(19-16(12)17)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyZQYHDUUPMVFFDZ-UHFFFAOYSA-N
MW295.34 g/mol
LogP4.55
Rot. Bonds1

About 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one

7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one (PubChem CID 86722268) has the molecular formula C17H10FNOS and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one.

Molecular Properties

Compound Name7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one
PubChem CID86722268
Molecular FormulaC17H10FNOS
Molecular Weight295.34 g/mol
Exact Mass295.05
IUPAC Name7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one
SMILESO=c1cc(-c2ccccc2)[nH]c2c1sc1cc(F)ccc12
InChIInChI=1S/C17H10FNOS/c18-11-6-7-12-15(8-11)21-17-14(20)9-13(19-16(12)17)10-4-2-1-3-5-10/h1-9H,(H,19,20)
InChIKeyZQYHDUUPMVFFDZ-UHFFFAOYSA-N
XLogP4.55
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The IUPAC name of 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one (CID 86722268) is 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one.
What is the SMILES notation for 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The canonical SMILES for 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one is O=c1cc(-c2ccccc2)[nH]c2c1sc1cc(F)ccc12.
What is the InChIKey of 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
The InChIKey is ZQYHDUUPMVFFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10FNOS/c18-11-6-7-12-15(8-11)21-17-14(20)9-13(19-16(12)17)10-4-2-1-3-5-10/h1-9H,(H,19,20).
What are the key properties of 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one?
7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one has a molecular weight of 295.34 g/mol, XLogP of 4.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-phenyl-1H-[1]benzothiolo[3,2-b]pyridin-4-one is sourced from PubChem (CID 86722268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).