thieno[3,2-b]pyridin-2-yl hydrogen carbonate

C8H5NO3S — CID 69362477

IUPACthieno[3,2-b]pyridin-2-yl hydrogen carbonate
SMILESO=C(O)Oc1cc2ncccc2s1
InChIInChI=1S/C8H5NO3S/c10-8(11)12-7-4-5-6(13-7)2-1-3-9-5/h1-4H,(H,10,11)
InChIKeyRNTCQLKSDBAEPR-UHFFFAOYSA-N
MW195.20 g/mol
LogP2.35
Rot. Bonds1

About thieno[3,2-b]pyridin-2-yl hydrogen carbonate

thieno[3,2-b]pyridin-2-yl hydrogen carbonate (PubChem CID 69362477) has the molecular formula C8H5NO3S and a molecular weight of 195.20 g/mol. Its IUPAC name is thieno[3,2-b]pyridin-2-yl hydrogen carbonate.

Molecular Properties

Compound Namethieno[3,2-b]pyridin-2-yl hydrogen carbonate
PubChem CID69362477
Molecular FormulaC8H5NO3S
Molecular Weight195.20 g/mol
Exact Mass195.00
IUPAC Namethieno[3,2-b]pyridin-2-yl hydrogen carbonate
SMILESO=C(O)Oc1cc2ncccc2s1
InChIInChI=1S/C8H5NO3S/c10-8(11)12-7-4-5-6(13-7)2-1-3-9-5/h1-4H,(H,10,11)
InChIKeyRNTCQLKSDBAEPR-UHFFFAOYSA-N
XLogP2.35
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.20
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of thieno[3,2-b]pyridin-2-yl hydrogen carbonate?
The IUPAC name of thieno[3,2-b]pyridin-2-yl hydrogen carbonate (CID 69362477) is thieno[3,2-b]pyridin-2-yl hydrogen carbonate.
What is the SMILES notation for thieno[3,2-b]pyridin-2-yl hydrogen carbonate?
The canonical SMILES for thieno[3,2-b]pyridin-2-yl hydrogen carbonate is O=C(O)Oc1cc2ncccc2s1.
What is the InChIKey of thieno[3,2-b]pyridin-2-yl hydrogen carbonate?
The InChIKey is RNTCQLKSDBAEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO3S/c10-8(11)12-7-4-5-6(13-7)2-1-3-9-5/h1-4H,(H,10,11).
What are the key properties of thieno[3,2-b]pyridin-2-yl hydrogen carbonate?
thieno[3,2-b]pyridin-2-yl hydrogen carbonate has a molecular weight of 195.20 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[3,2-b]pyridin-2-yl hydrogen carbonate is sourced from PubChem (CID 69362477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).