8-hydroxyquinoline-3-carbonitrile

C10H6N2O — CID 82653167

IUPAC8-hydroxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(O)cccc2c1
InChIInChI=1S/C10H6N2O/c11-5-7-4-8-2-1-3-9(13)10(8)12-6-7/h1-4,6,13H
InChIKeyVLLFYOYDKWLQHN-UHFFFAOYSA-N
MW170.17 g/mol
LogP1.81
Rot. Bonds

About 8-hydroxyquinoline-3-carbonitrile

8-hydroxyquinoline-3-carbonitrile (PubChem CID 82653167) has the molecular formula C10H6N2O and a molecular weight of 170.17 g/mol. Its IUPAC name is 8-hydroxyquinoline-3-carbonitrile.

Molecular Properties

Compound Name8-hydroxyquinoline-3-carbonitrile
PubChem CID82653167
Molecular FormulaC10H6N2O
Molecular Weight170.17 g/mol
Exact Mass170.05
IUPAC Name8-hydroxyquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(O)cccc2c1
InChIInChI=1S/C10H6N2O/c11-5-7-4-8-2-1-3-9(13)10(8)12-6-7/h1-4,6,13H
InChIKeyVLLFYOYDKWLQHN-UHFFFAOYSA-N
XLogP1.81
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxyquinoline-3-carbonitrile?
The IUPAC name of 8-hydroxyquinoline-3-carbonitrile (CID 82653167) is 8-hydroxyquinoline-3-carbonitrile.
What is the SMILES notation for 8-hydroxyquinoline-3-carbonitrile?
The canonical SMILES for 8-hydroxyquinoline-3-carbonitrile is N#Cc1cnc2c(O)cccc2c1.
What is the InChIKey of 8-hydroxyquinoline-3-carbonitrile?
The InChIKey is VLLFYOYDKWLQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6N2O/c11-5-7-4-8-2-1-3-9(13)10(8)12-6-7/h1-4,6,13H.
What are the key properties of 8-hydroxyquinoline-3-carbonitrile?
8-hydroxyquinoline-3-carbonitrile has a molecular weight of 170.17 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyquinoline-3-carbonitrile is sourced from PubChem (CID 82653167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).