7-hydroxydibenzothiophene-3-carbonitrile

C13H7NOS — CID 102103936

IUPAC7-hydroxydibenzothiophene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)sc1cc(O)ccc12
InChIInChI=1S/C13H7NOS/c14-7-8-1-3-10-11-4-2-9(15)6-13(11)16-12(10)5-8/h1-6,15H
InChIKeyDNXPXGKZVOJDTG-UHFFFAOYSA-N
MW225.27 g/mol
LogP3.63
Rot. Bonds

About 7-hydroxydibenzothiophene-3-carbonitrile

7-hydroxydibenzothiophene-3-carbonitrile (PubChem CID 102103936) has the molecular formula C13H7NOS and a molecular weight of 225.27 g/mol. Its IUPAC name is 7-hydroxydibenzothiophene-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxydibenzothiophene-3-carbonitrile
PubChem CID102103936
Molecular FormulaC13H7NOS
Molecular Weight225.27 g/mol
Exact Mass225.02
IUPAC Name7-hydroxydibenzothiophene-3-carbonitrile
SMILESN#Cc1ccc2c(c1)sc1cc(O)ccc12
InChIInChI=1S/C13H7NOS/c14-7-8-1-3-10-11-4-2-9(15)6-13(11)16-12(10)5-8/h1-6,15H
InChIKeyDNXPXGKZVOJDTG-UHFFFAOYSA-N
XLogP3.63
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxydibenzothiophene-3-carbonitrile?
The IUPAC name of 7-hydroxydibenzothiophene-3-carbonitrile (CID 102103936) is 7-hydroxydibenzothiophene-3-carbonitrile.
What is the SMILES notation for 7-hydroxydibenzothiophene-3-carbonitrile?
The canonical SMILES for 7-hydroxydibenzothiophene-3-carbonitrile is N#Cc1ccc2c(c1)sc1cc(O)ccc12.
What is the InChIKey of 7-hydroxydibenzothiophene-3-carbonitrile?
The InChIKey is DNXPXGKZVOJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7NOS/c14-7-8-1-3-10-11-4-2-9(15)6-13(11)16-12(10)5-8/h1-6,15H.
What are the key properties of 7-hydroxydibenzothiophene-3-carbonitrile?
7-hydroxydibenzothiophene-3-carbonitrile has a molecular weight of 225.27 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxydibenzothiophene-3-carbonitrile is sourced from PubChem (CID 102103936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).