[1]benzothiolo[2,3-c]pyridin-4-ylmethanol

C12H9NOS — CID 14689458

IUPAC[1]benzothiolo[2,3-c]pyridin-4-ylmethanol
SMILESOCc1cncc2sc3ccccc3c12
InChIInChI=1S/C12H9NOS/c14-7-8-5-13-6-11-12(8)9-3-1-2-4-10(9)15-11/h1-6,14H,7H2
InChIKeyITHZJBBRARMPCA-UHFFFAOYSA-N
MW215.28 g/mol
LogP2.94
Rot. Bonds1

About [1]benzothiolo[2,3-c]pyridin-4-ylmethanol

[1]benzothiolo[2,3-c]pyridin-4-ylmethanol (PubChem CID 14689458) has the molecular formula C12H9NOS and a molecular weight of 215.28 g/mol. Its IUPAC name is [1]benzothiolo[2,3-c]pyridin-4-ylmethanol.

Molecular Properties

Compound Name[1]benzothiolo[2,3-c]pyridin-4-ylmethanol
PubChem CID14689458
Molecular FormulaC12H9NOS
Molecular Weight215.28 g/mol
Exact Mass215.04
IUPAC Name[1]benzothiolo[2,3-c]pyridin-4-ylmethanol
SMILESOCc1cncc2sc3ccccc3c12
InChIInChI=1S/C12H9NOS/c14-7-8-5-13-6-11-12(8)9-3-1-2-4-10(9)15-11/h1-6,14H,7H2
InChIKeyITHZJBBRARMPCA-UHFFFAOYSA-N
XLogP2.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1]benzothiolo[2,3-c]pyridin-4-ylmethanol?
The IUPAC name of [1]benzothiolo[2,3-c]pyridin-4-ylmethanol (CID 14689458) is [1]benzothiolo[2,3-c]pyridin-4-ylmethanol.
What is the SMILES notation for [1]benzothiolo[2,3-c]pyridin-4-ylmethanol?
The canonical SMILES for [1]benzothiolo[2,3-c]pyridin-4-ylmethanol is OCc1cncc2sc3ccccc3c12.
What is the InChIKey of [1]benzothiolo[2,3-c]pyridin-4-ylmethanol?
The InChIKey is ITHZJBBRARMPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NOS/c14-7-8-5-13-6-11-12(8)9-3-1-2-4-10(9)15-11/h1-6,14H,7H2.
What are the key properties of [1]benzothiolo[2,3-c]pyridin-4-ylmethanol?
[1]benzothiolo[2,3-c]pyridin-4-ylmethanol has a molecular weight of 215.28 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzothiolo[2,3-c]pyridin-4-ylmethanol is sourced from PubChem (CID 14689458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).