2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid

C15H13F2NO2S — CID 163517289

IUPAC2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)C(c1cccc(F)c1F)N1CCc2sccc2C1
InChIInChI=1S/C15H13F2NO2S/c16-11-3-1-2-10(13(11)17)14(15(19)20)18-6-4-12-9(8-18)5-7-21-12/h1-3,5,7,14H,4,6,8H2,(H,19,20)
InChIKeyDHUZGRHRJRZDPZ-UHFFFAOYSA-N
MW309.34 g/mol
LogP3.21
Rot. Bonds3

About 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid

2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (PubChem CID 163517289) has the molecular formula C15H13F2NO2S and a molecular weight of 309.34 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
PubChem CID163517289
Molecular FormulaC15H13F2NO2S
Molecular Weight309.34 g/mol
Exact Mass309.06
IUPAC Name2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)C(c1cccc(F)c1F)N1CCc2sccc2C1
InChIInChI=1S/C15H13F2NO2S/c16-11-3-1-2-10(13(11)17)14(15(19)20)18-6-4-12-9(8-18)5-7-21-12/h1-3,5,7,14H,4,6,8H2,(H,19,20)
InChIKeyDHUZGRHRJRZDPZ-UHFFFAOYSA-N
XLogP3.21
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (CID 163517289) is 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is O=C(O)C(c1cccc(F)c1F)N1CCc2sccc2C1.
What is the InChIKey of 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The InChIKey is DHUZGRHRJRZDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO2S/c16-11-3-1-2-10(13(11)17)14(15(19)20)18-6-4-12-9(8-18)5-7-21-12/h1-3,5,7,14H,4,6,8H2,(H,19,20).
What are the key properties of 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid has a molecular weight of 309.34 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is sourced from PubChem (CID 163517289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).