phenyl(thieno[3,2-b]pyridin-6-yl)methanone

C14H9NOS — CID 81147858

IUPACphenyl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1ccccc1)c1cnc2ccsc2c1
InChIInChI=1S/C14H9NOS/c16-14(10-4-2-1-3-5-10)11-8-13-12(15-9-11)6-7-17-13/h1-9H
InChIKeyDAZUKWOFTKSDAY-UHFFFAOYSA-N
MW239.30 g/mol
LogP3.53
Rot. Bonds2

About phenyl(thieno[3,2-b]pyridin-6-yl)methanone

phenyl(thieno[3,2-b]pyridin-6-yl)methanone (PubChem CID 81147858) has the molecular formula C14H9NOS and a molecular weight of 239.30 g/mol. Its IUPAC name is phenyl(thieno[3,2-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Namephenyl(thieno[3,2-b]pyridin-6-yl)methanone
PubChem CID81147858
Molecular FormulaC14H9NOS
Molecular Weight239.30 g/mol
Exact Mass239.04
IUPAC Namephenyl(thieno[3,2-b]pyridin-6-yl)methanone
SMILESO=C(c1ccccc1)c1cnc2ccsc2c1
InChIInChI=1S/C14H9NOS/c16-14(10-4-2-1-3-5-10)11-8-13-12(15-9-11)6-7-17-13/h1-9H
InChIKeyDAZUKWOFTKSDAY-UHFFFAOYSA-N
XLogP3.53
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenyl(thieno[3,2-b]pyridin-6-yl)methanone?
The IUPAC name of phenyl(thieno[3,2-b]pyridin-6-yl)methanone (CID 81147858) is phenyl(thieno[3,2-b]pyridin-6-yl)methanone.
What is the SMILES notation for phenyl(thieno[3,2-b]pyridin-6-yl)methanone?
The canonical SMILES for phenyl(thieno[3,2-b]pyridin-6-yl)methanone is O=C(c1ccccc1)c1cnc2ccsc2c1.
What is the InChIKey of phenyl(thieno[3,2-b]pyridin-6-yl)methanone?
The InChIKey is DAZUKWOFTKSDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NOS/c16-14(10-4-2-1-3-5-10)11-8-13-12(15-9-11)6-7-17-13/h1-9H.
What are the key properties of phenyl(thieno[3,2-b]pyridin-6-yl)methanone?
phenyl(thieno[3,2-b]pyridin-6-yl)methanone has a molecular weight of 239.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(thieno[3,2-b]pyridin-6-yl)methanone is sourced from PubChem (CID 81147858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).