2-hydroxynaphthalene-1,4-dicarbonitrile

C12H6N2O — CID 70018518

IUPAC2-hydroxynaphthalene-1,4-dicarbonitrile
SMILESN#Cc1cc(O)c(C#N)c2ccccc12
InChIInChI=1S/C12H6N2O/c13-6-8-5-12(15)11(7-14)10-4-2-1-3-9(8)10/h1-5,15H
InChIKeyASQYNGBFUNESBE-UHFFFAOYSA-N
MW194.19 g/mol
LogP2.29
Rot. Bonds

About 2-hydroxynaphthalene-1,4-dicarbonitrile

2-hydroxynaphthalene-1,4-dicarbonitrile (PubChem CID 70018518) has the molecular formula C12H6N2O and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-hydroxynaphthalene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-hydroxynaphthalene-1,4-dicarbonitrile
PubChem CID70018518
Molecular FormulaC12H6N2O
Molecular Weight194.19 g/mol
Exact Mass194.05
IUPAC Name2-hydroxynaphthalene-1,4-dicarbonitrile
SMILESN#Cc1cc(O)c(C#N)c2ccccc12
InChIInChI=1S/C12H6N2O/c13-6-8-5-12(15)11(7-14)10-4-2-1-3-9(8)10/h1-5,15H
InChIKeyASQYNGBFUNESBE-UHFFFAOYSA-N
XLogP2.29
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-hydroxynaphthalene-1,4-dicarbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
Menadiol
CID 10209
3-Phenanthrol
CID 95724
2-Methyl-1-naphthol
CID 24055
2-Benzyl-1-naphthol
CID 160268
3-(3-Fluoro-4-hydroxyphenyl)-7-hydroxy-1-naphthonitrile
CID 6102691
6-Hydroxychrysene
CID 37766
1-Hydroxyphenanthrene
CID 98490
Phenanthren-2-ol
CID 69061
5-Ethenyl-1-methyl-2,7-phenanthrenediol
CID 5316810
2-Anthrol
CID 99503

Frequently Asked Questions

What is the IUPAC name of 2-hydroxynaphthalene-1,4-dicarbonitrile?
The IUPAC name of 2-hydroxynaphthalene-1,4-dicarbonitrile (CID 70018518) is 2-hydroxynaphthalene-1,4-dicarbonitrile.
What is the SMILES notation for 2-hydroxynaphthalene-1,4-dicarbonitrile?
The canonical SMILES for 2-hydroxynaphthalene-1,4-dicarbonitrile is N#Cc1cc(O)c(C#N)c2ccccc12.
What is the InChIKey of 2-hydroxynaphthalene-1,4-dicarbonitrile?
The InChIKey is ASQYNGBFUNESBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6N2O/c13-6-8-5-12(15)11(7-14)10-4-2-1-3-9(8)10/h1-5,15H.
What are the key properties of 2-hydroxynaphthalene-1,4-dicarbonitrile?
2-hydroxynaphthalene-1,4-dicarbonitrile has a molecular weight of 194.19 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxynaphthalene-1,4-dicarbonitrile is sourced from PubChem (CID 70018518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).