5,8-dimethoxynaphthalene-2,3-dicarbonitrile

C14H10N2O2 — CID 15323116

IUPAC5,8-dimethoxynaphthalene-2,3-dicarbonitrile
SMILESCOc1ccc(OC)c2cc(C#N)c(C#N)cc12
InChIInChI=1S/C14H10N2O2/c1-17-13-3-4-14(18-2)12-6-10(8-16)9(7-15)5-11(12)13/h3-6H,1-2H3
InChIKeyMOQXLOAXYGLWHU-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.60
Rot. Bonds2

About 5,8-dimethoxynaphthalene-2,3-dicarbonitrile

5,8-dimethoxynaphthalene-2,3-dicarbonitrile (PubChem CID 15323116) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5,8-dimethoxynaphthalene-2,3-dicarbonitrile.

Molecular Properties

Compound Name5,8-dimethoxynaphthalene-2,3-dicarbonitrile
PubChem CID15323116
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name5,8-dimethoxynaphthalene-2,3-dicarbonitrile
SMILESCOc1ccc(OC)c2cc(C#N)c(C#N)cc12
InChIInChI=1S/C14H10N2O2/c1-17-13-3-4-14(18-2)12-6-10(8-16)9(7-15)5-11(12)13/h3-6H,1-2H3
InChIKeyMOQXLOAXYGLWHU-UHFFFAOYSA-N
XLogP2.60
TPSA66.04 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5,8-dimethoxynaphthalene-2,3-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

4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
4-methoxy-1-benzothiophene-7-carbonitrile
CID 68709277
2,3,4,5-tetramethoxybenzonitrile
CID 71368082
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
3,4-dimethoxy-2-phenylbenzonitrile
CID 67635985
1,2,3,6,7-pentamethoxyphenanthrene-9-carbonitrile
CID 11100286
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
2,4-dimethoxy-3-methylsulfanylbenzonitrile
CID 117298729
3,4,5-trimethoxybenzene-1,2-dicarbonitrile
CID 162965127
5-(1-chloroethyl)-2-methoxybenzonitrile
CID 86111325

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethoxynaphthalene-2,3-dicarbonitrile?
The IUPAC name of 5,8-dimethoxynaphthalene-2,3-dicarbonitrile (CID 15323116) is 5,8-dimethoxynaphthalene-2,3-dicarbonitrile.
What is the SMILES notation for 5,8-dimethoxynaphthalene-2,3-dicarbonitrile?
The canonical SMILES for 5,8-dimethoxynaphthalene-2,3-dicarbonitrile is COc1ccc(OC)c2cc(C#N)c(C#N)cc12.
What is the InChIKey of 5,8-dimethoxynaphthalene-2,3-dicarbonitrile?
The InChIKey is MOQXLOAXYGLWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-17-13-3-4-14(18-2)12-6-10(8-16)9(7-15)5-11(12)13/h3-6H,1-2H3.
What are the key properties of 5,8-dimethoxynaphthalene-2,3-dicarbonitrile?
5,8-dimethoxynaphthalene-2,3-dicarbonitrile has a molecular weight of 238.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethoxynaphthalene-2,3-dicarbonitrile is sourced from PubChem (CID 15323116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).