2-methoxynaphthalene-1,4-dicarbonitrile

C13H8N2O — CID 169050362

IUPAC2-methoxynaphthalene-1,4-dicarbonitrile
SMILESCOc1cc(C#N)c2ccccc2c1C#N
InChIInChI=1S/C13H8N2O/c1-16-13-6-9(7-14)10-4-2-3-5-11(10)12(13)8-15/h2-6H,1H3
InChIKeyVZMLXCOMZANHTK-UHFFFAOYSA-N
MW208.22 g/mol
LogP2.59
Rot. Bonds1

About 2-methoxynaphthalene-1,4-dicarbonitrile

2-methoxynaphthalene-1,4-dicarbonitrile (PubChem CID 169050362) has the molecular formula C13H8N2O and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-methoxynaphthalene-1,4-dicarbonitrile.

Molecular Properties

Compound Name2-methoxynaphthalene-1,4-dicarbonitrile
PubChem CID169050362
Molecular FormulaC13H8N2O
Molecular Weight208.22 g/mol
Exact Mass208.06
IUPAC Name2-methoxynaphthalene-1,4-dicarbonitrile
SMILESCOc1cc(C#N)c2ccccc2c1C#N
InChIInChI=1S/C13H8N2O/c1-16-13-6-9(7-14)10-4-2-3-5-11(10)12(13)8-15/h2-6H,1H3
InChIKeyVZMLXCOMZANHTK-UHFFFAOYSA-N
XLogP2.59
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methoxynaphthalene-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

12,13-dimethoxypentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,12,15,17,19,21-undecaene-9,16-dicarbonitrile
CID 102125962
2-methoxy-1,4-bis(2-phenylethynyl)naphthalene
CID 59188694
3,4,5-trimethoxybenzene-1,2-dicarbonitrile
CID 162965127
2-hydroxynaphthalene-1,4-dicarbonitrile
CID 70018518
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972
2,3,4,5-tetramethoxybenzonitrile
CID 71368082
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
8-methoxy-2-propan-2-ylquinoline-4-carbonitrile
CID 82449685

Frequently Asked Questions

What is the IUPAC name of 2-methoxynaphthalene-1,4-dicarbonitrile?
The IUPAC name of 2-methoxynaphthalene-1,4-dicarbonitrile (CID 169050362) is 2-methoxynaphthalene-1,4-dicarbonitrile.
What is the SMILES notation for 2-methoxynaphthalene-1,4-dicarbonitrile?
The canonical SMILES for 2-methoxynaphthalene-1,4-dicarbonitrile is COc1cc(C#N)c2ccccc2c1C#N.
What is the InChIKey of 2-methoxynaphthalene-1,4-dicarbonitrile?
The InChIKey is VZMLXCOMZANHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N2O/c1-16-13-6-9(7-14)10-4-2-3-5-11(10)12(13)8-15/h2-6H,1H3.
What are the key properties of 2-methoxynaphthalene-1,4-dicarbonitrile?
2-methoxynaphthalene-1,4-dicarbonitrile has a molecular weight of 208.22 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxynaphthalene-1,4-dicarbonitrile is sourced from PubChem (CID 169050362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).