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

C9H11NO2S — CID 16770322

IUPAC2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)CN1CCc2sccc2C1
InChIInChI=1S/C9H11NO2S/c11-9(12)6-10-3-1-8-7(5-10)2-4-13-8/h2,4H,1,3,5-6H2,(H,11,12)
InChIKeyNDXRNFGHRDRBGC-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.19
Rot. Bonds2

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

2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (PubChem CID 16770322) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
PubChem CID16770322
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC Name2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid
SMILESO=C(O)CN1CCc2sccc2C1
InChIInChI=1S/C9H11NO2S/c11-9(12)6-10-3-1-8-7(5-10)2-4-13-8/h2,4H,1,3,5-6H2,(H,11,12)
InChIKeyNDXRNFGHRDRBGC-UHFFFAOYSA-N
XLogP1.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The IUPAC name of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid (CID 16770322) is 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The canonical SMILES for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is O=C(O)CN1CCc2sccc2C1.
What is the InChIKey of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
The InChIKey is NDXRNFGHRDRBGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c11-9(12)6-10-3-1-8-7(5-10)2-4-13-8/h2,4H,1,3,5-6H2,(H,11,12).
What are the key properties of 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid?
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid has a molecular weight of 197.26 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetic acid is sourced from PubChem (CID 16770322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).