thieno[2,3-b]pyridin-2-yl benzoate

C14H9NO2S — CID 167343123

IUPACthieno[2,3-b]pyridin-2-yl benzoate
SMILESO=C(Oc1cc2cccnc2s1)c1ccccc1
InChIInChI=1S/C14H9NO2S/c16-14(10-5-2-1-3-6-10)17-12-9-11-7-4-8-15-13(11)18-12/h1-9H
InChIKeyQZMLAXCHRVRCEM-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.52
Rot. Bonds2

About thieno[2,3-b]pyridin-2-yl benzoate

thieno[2,3-b]pyridin-2-yl benzoate (PubChem CID 167343123) has the molecular formula C14H9NO2S and a molecular weight of 255.30 g/mol. Its IUPAC name is thieno[2,3-b]pyridin-2-yl benzoate.

Molecular Properties

Compound Namethieno[2,3-b]pyridin-2-yl benzoate
PubChem CID167343123
Molecular FormulaC14H9NO2S
Molecular Weight255.30 g/mol
Exact Mass255.04
IUPAC Namethieno[2,3-b]pyridin-2-yl benzoate
SMILESO=C(Oc1cc2cccnc2s1)c1ccccc1
InChIInChI=1S/C14H9NO2S/c16-14(10-5-2-1-3-6-10)17-12-9-11-7-4-8-15-13(11)18-12/h1-9H
InChIKeyQZMLAXCHRVRCEM-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-benzoylthiopyrano[2,3-b]pyridin-2-one
CID 12867722
(2-chloro-1,3-thiazol-5-yl) benzoate
CID 174619966
thieno[2,3-b]pyridin-2-ol
CID 89200152
thieno[2,3-b]pyridin-2-ylcarbamic acid
CID 142702940
thieno[2,3-b]pyridine-2-carboxylate
CID 7162094
hydron;thieno[2,3-b]pyridine-2-carboxamide
CID 174476240
thieno[3,2-b]pyridin-2-yl hydrogen carbonate
CID 69362477
[2-[(3-benzoyloxy-2-pyridinyl)disulfanyl]-3-pyridinyl] benzoate
CID 570399
(5-methyl-2-pyridin-2-yl-1,3-thiazol-4-yl) benzoate
CID 4313462
3-benzoyloxyisoquinoline-1-carboxylic acid
CID 151013218
(3-benzoyloxy-2-pyridin-2-ylphenyl) benzoate
CID 46187631
(4,6-dimethylpyrimidin-2-yl) benzoate
CID 835169

Frequently Asked Questions

What is the IUPAC name of thieno[2,3-b]pyridin-2-yl benzoate?
The IUPAC name of thieno[2,3-b]pyridin-2-yl benzoate (CID 167343123) is thieno[2,3-b]pyridin-2-yl benzoate.
What is the SMILES notation for thieno[2,3-b]pyridin-2-yl benzoate?
The canonical SMILES for thieno[2,3-b]pyridin-2-yl benzoate is O=C(Oc1cc2cccnc2s1)c1ccccc1.
What is the InChIKey of thieno[2,3-b]pyridin-2-yl benzoate?
The InChIKey is QZMLAXCHRVRCEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2S/c16-14(10-5-2-1-3-6-10)17-12-9-11-7-4-8-15-13(11)18-12/h1-9H.
What are the key properties of thieno[2,3-b]pyridin-2-yl benzoate?
thieno[2,3-b]pyridin-2-yl benzoate has a molecular weight of 255.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for thieno[2,3-b]pyridin-2-yl benzoate is sourced from PubChem (CID 167343123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).