[1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone

C18H11NO2S — CID 134833986

IUPAC[1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2sc3ccccc3c2c1)c1ccccc1O
InChIInChI=1S/C18H11NO2S/c20-15-7-3-1-6-13(15)17(21)11-9-14-12-5-2-4-8-16(12)22-18(14)19-10-11/h1-10,20H
InChIKeyUXLADTPPSHVWRI-UHFFFAOYSA-N
MW305.36 g/mol
LogP4.39
Rot. Bonds2

About [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone

[1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone (PubChem CID 134833986) has the molecular formula C18H11NO2S and a molecular weight of 305.36 g/mol. Its IUPAC name is [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name[1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone
PubChem CID134833986
Molecular FormulaC18H11NO2S
Molecular Weight305.36 g/mol
Exact Mass305.05
IUPAC Name[1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone
SMILESO=C(c1cnc2sc3ccccc3c2c1)c1ccccc1O
InChIInChI=1S/C18H11NO2S/c20-15-7-3-1-6-13(15)17(21)11-9-14-12-5-2-4-8-16(12)22-18(14)19-10-11/h1-10,20H
InChIKeyUXLADTPPSHVWRI-UHFFFAOYSA-N
XLogP4.39
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone?
The IUPAC name of [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone (CID 134833986) is [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone.
What is the SMILES notation for [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone?
The canonical SMILES for [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone is O=C(c1cnc2sc3ccccc3c2c1)c1ccccc1O.
What is the InChIKey of [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone?
The InChIKey is UXLADTPPSHVWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2S/c20-15-7-3-1-6-13(15)17(21)11-9-14-12-5-2-4-8-16(12)22-18(14)19-10-11/h1-10,20H.
What are the key properties of [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone?
[1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone has a molecular weight of 305.36 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-b]pyridin-3-yl-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 134833986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).