5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one

C14H9F2NOS — CID 115886559

IUPAC5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1cccc(F)c1F
InChIInChI=1S/C14H9F2NOS/c15-11-3-1-2-9(13(11)16)8-17-6-4-12-10(14(17)18)5-7-19-12/h1-7H,8H2
InChIKeyRXZQXNZRZVQQNF-UHFFFAOYSA-N
MW277.30 g/mol
LogP3.39
Rot. Bonds2

About 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one

5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (PubChem CID 115886559) has the molecular formula C14H9F2NOS and a molecular weight of 277.30 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
PubChem CID115886559
Molecular FormulaC14H9F2NOS
Molecular Weight277.30 g/mol
Exact Mass277.04
IUPAC Name5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one
SMILESO=c1c2ccsc2ccn1Cc1cccc(F)c1F
InChIInChI=1S/C14H9F2NOS/c15-11-3-1-2-9(13(11)16)8-17-6-4-12-10(14(17)18)5-7-19-12/h1-7H,8H2
InChIKeyRXZQXNZRZVQQNF-UHFFFAOYSA-N
XLogP3.39
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one (CID 115886559) is 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is O=c1c2ccsc2ccn1Cc1cccc(F)c1F.
What is the InChIKey of 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
The InChIKey is RXZQXNZRZVQQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F2NOS/c15-11-3-1-2-9(13(11)16)8-17-6-4-12-10(14(17)18)5-7-19-12/h1-7H,8H2.
What are the key properties of 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one?
5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one has a molecular weight of 277.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methyl]thieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 115886559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).