thieno[3,2-c]pyridin-2-yl acetate

C9H7NO2S — CID 144516714

IUPACthieno[3,2-c]pyridin-2-yl acetate
SMILESCC(=O)Oc1cc2cnccc2s1
InChIInChI=1S/C9H7NO2S/c1-6(11)12-9-4-7-5-10-3-2-8(7)13-9/h2-5H,1H3
InChIKeyKMHXJJBHZGBOML-UHFFFAOYSA-N
MW193.23 g/mol
LogP2.22
Rot. Bonds1

About thieno[3,2-c]pyridin-2-yl acetate

thieno[3,2-c]pyridin-2-yl acetate (PubChem CID 144516714) has the molecular formula C9H7NO2S and a molecular weight of 193.23 g/mol. Its IUPAC name is thieno[3,2-c]pyridin-2-yl acetate.

Molecular Properties

Compound Namethieno[3,2-c]pyridin-2-yl acetate
PubChem CID144516714
Molecular FormulaC9H7NO2S
Molecular Weight193.23 g/mol
Exact Mass193.02
IUPAC Namethieno[3,2-c]pyridin-2-yl acetate
SMILESCC(=O)Oc1cc2cnccc2s1
InChIInChI=1S/C9H7NO2S/c1-6(11)12-9-4-7-5-10-3-2-8(7)13-9/h2-5H,1H3
InChIKeyKMHXJJBHZGBOML-UHFFFAOYSA-N
XLogP2.22
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.23
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-c]pyridin-2-yl acetate?
The IUPAC name of thieno[3,2-c]pyridin-2-yl acetate (CID 144516714) is thieno[3,2-c]pyridin-2-yl acetate.
What is the SMILES notation for thieno[3,2-c]pyridin-2-yl acetate?
The canonical SMILES for thieno[3,2-c]pyridin-2-yl acetate is CC(=O)Oc1cc2cnccc2s1.
What is the InChIKey of thieno[3,2-c]pyridin-2-yl acetate?
The InChIKey is KMHXJJBHZGBOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S/c1-6(11)12-9-4-7-5-10-3-2-8(7)13-9/h2-5H,1H3.
What are the key properties of thieno[3,2-c]pyridin-2-yl acetate?
thieno[3,2-c]pyridin-2-yl acetate has a molecular weight of 193.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-c]pyridin-2-yl acetate is sourced from PubChem (CID 144516714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).