8-hydroxyquinoline-3,6-dicarbonitrile

C11H5N3O — CID 139640777

IUPAC8-hydroxyquinoline-3,6-dicarbonitrile
SMILESN#Cc1cnc2c(O)cc(C#N)cc2c1
InChIInChI=1S/C11H5N3O/c12-4-7-1-9-2-8(5-13)6-14-11(9)10(15)3-7/h1-3,6,15H
InChIKeyIOHLCIQNRPDJBY-UHFFFAOYSA-N
MW195.18 g/mol
LogP1.68
Rot. Bonds

About 8-hydroxyquinoline-3,6-dicarbonitrile

8-hydroxyquinoline-3,6-dicarbonitrile (PubChem CID 139640777) has the molecular formula C11H5N3O and a molecular weight of 195.18 g/mol. Its IUPAC name is 8-hydroxyquinoline-3,6-dicarbonitrile.

Molecular Properties

Compound Name8-hydroxyquinoline-3,6-dicarbonitrile
PubChem CID139640777
Molecular FormulaC11H5N3O
Molecular Weight195.18 g/mol
Exact Mass195.04
IUPAC Name8-hydroxyquinoline-3,6-dicarbonitrile
SMILESN#Cc1cnc2c(O)cc(C#N)cc2c1
InChIInChI=1S/C11H5N3O/c12-4-7-1-9-2-8(5-13)6-14-11(9)10(15)3-7/h1-3,6,15H
InChIKeyIOHLCIQNRPDJBY-UHFFFAOYSA-N
XLogP1.68
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

8-hydroxyquinoline-3-carbonitrile
CID 82653167
8-methyl-1,6-naphthyridine-3-carbonitrile
CID 55295879
8-aminoquinoline-3-carbonitrile
CID 131425885
5-hydroxy-6-(trifluoromethoxy)pyridine-3-carbonitrile
CID 130091817
8-isocyano-1,10-phenanthroline-3-carbonitrile
CID 88853098
7-amino-8-methylquinoline-3-carbonitrile
CID 101362406
1,8-naphthyridine-3-carbonitrile
CID 54038594
3,4-dihydroxy-5-methylbenzonitrile
CID 101349951
8-(diethylamino)quinoline-3-carbonitrile
CID 105483149
8-tert-butylsulfanyl-6-cyanoquinoline-3-carboxylic acid
CID 146273850
4-hydroxy-1H-indazole-6-carbonitrile
CID 136654039
4-hydroxy-6-methylnaphthalene-2-carbonitrile
CID 67309332

Frequently Asked Questions

What is the IUPAC name of 8-hydroxyquinoline-3,6-dicarbonitrile?
The IUPAC name of 8-hydroxyquinoline-3,6-dicarbonitrile (CID 139640777) is 8-hydroxyquinoline-3,6-dicarbonitrile.
What is the SMILES notation for 8-hydroxyquinoline-3,6-dicarbonitrile?
The canonical SMILES for 8-hydroxyquinoline-3,6-dicarbonitrile is N#Cc1cnc2c(O)cc(C#N)cc2c1.
What is the InChIKey of 8-hydroxyquinoline-3,6-dicarbonitrile?
The InChIKey is IOHLCIQNRPDJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O/c12-4-7-1-9-2-8(5-13)6-14-11(9)10(15)3-7/h1-3,6,15H.
What are the key properties of 8-hydroxyquinoline-3,6-dicarbonitrile?
8-hydroxyquinoline-3,6-dicarbonitrile has a molecular weight of 195.18 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxyquinoline-3,6-dicarbonitrile is sourced from PubChem (CID 139640777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).