2-hydroxy-5-quinolin-6-ylbenzonitrile

C16H10N2O — CID 83130277

IUPAC2-hydroxy-5-quinolin-6-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc3ncccc3c2)ccc1O
InChIInChI=1S/C16H10N2O/c17-10-14-9-12(4-6-16(14)19)11-3-5-15-13(8-11)2-1-7-18-15/h1-9,19H
InChIKeyJAJBZNUIYMOCOA-UHFFFAOYSA-N
MW246.27 g/mol
LogP3.48
Rot. Bonds1

About 2-hydroxy-5-quinolin-6-ylbenzonitrile

2-hydroxy-5-quinolin-6-ylbenzonitrile (PubChem CID 83130277) has the molecular formula C16H10N2O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-hydroxy-5-quinolin-6-ylbenzonitrile.

Molecular Properties

Compound Name2-hydroxy-5-quinolin-6-ylbenzonitrile
PubChem CID83130277
Molecular FormulaC16H10N2O
Molecular Weight246.27 g/mol
Exact Mass246.08
IUPAC Name2-hydroxy-5-quinolin-6-ylbenzonitrile
SMILESN#Cc1cc(-c2ccc3ncccc3c2)ccc1O
InChIInChI=1S/C16H10N2O/c17-10-14-9-12(4-6-16(14)19)11-3-5-15-13(8-11)2-1-7-18-15/h1-9,19H
InChIKeyJAJBZNUIYMOCOA-UHFFFAOYSA-N
XLogP3.48
TPSA56.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-quinolin-6-ylbenzonitrile?
The IUPAC name of 2-hydroxy-5-quinolin-6-ylbenzonitrile (CID 83130277) is 2-hydroxy-5-quinolin-6-ylbenzonitrile.
What is the SMILES notation for 2-hydroxy-5-quinolin-6-ylbenzonitrile?
The canonical SMILES for 2-hydroxy-5-quinolin-6-ylbenzonitrile is N#Cc1cc(-c2ccc3ncccc3c2)ccc1O.
What is the InChIKey of 2-hydroxy-5-quinolin-6-ylbenzonitrile?
The InChIKey is JAJBZNUIYMOCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2O/c17-10-14-9-12(4-6-16(14)19)11-3-5-15-13(8-11)2-1-7-18-15/h1-9,19H.
What are the key properties of 2-hydroxy-5-quinolin-6-ylbenzonitrile?
2-hydroxy-5-quinolin-6-ylbenzonitrile has a molecular weight of 246.27 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-quinolin-6-ylbenzonitrile is sourced from PubChem (CID 83130277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).