6,7-dimethoxynaphthalene-1-carbonitrile

C13H11NO2 — CID 67115291

IUPAC6,7-dimethoxynaphthalene-1-carbonitrile
SMILESCOc1cc2cccc(C#N)c2cc1OC
InChIInChI=1S/C13H11NO2/c1-15-12-6-9-4-3-5-10(8-14)11(9)7-13(12)16-2/h3-7H,1-2H3
InChIKeyXRKMFEOZAIPUGM-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.73
Rot. Bonds2

About 6,7-dimethoxynaphthalene-1-carbonitrile

6,7-dimethoxynaphthalene-1-carbonitrile (PubChem CID 67115291) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6,7-dimethoxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name6,7-dimethoxynaphthalene-1-carbonitrile
PubChem CID67115291
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Name6,7-dimethoxynaphthalene-1-carbonitrile
SMILESCOc1cc2cccc(C#N)c2cc1OC
InChIInChI=1S/C13H11NO2/c1-15-12-6-9-4-3-5-10(8-14)11(9)7-13(12)16-2/h3-7H,1-2H3
InChIKeyXRKMFEOZAIPUGM-UHFFFAOYSA-N
XLogP2.73
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6,7-dimethoxynaphthalene-1-carbonitrile 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

1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile
CID 130385244
anthracene-1-carbonitrile
CID 3036603
4-bromo-7-methoxytetracene-1-carbonitrile
CID 175472098
5-methoxynaphthalene-2-carbonitrile
CID 22243517
2,3-dimethoxynaphthalene-1-carbonitrile
CID 177120866
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
2-ethyl-3-methoxybenzonitrile
CID 91882343
3-chloro-2-methoxybenzonitrile
CID 82652815
4-methoxy-1-phenylnaphthalene-2-carbonitrile
CID 24974972
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
2-formyl-3-methoxybenzonitrile
CID 122401577
6,7-dimethoxy-2-(3-methylphenyl)naphthalene-1-carbonitrile
CID 71514389

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxynaphthalene-1-carbonitrile?
The IUPAC name of 6,7-dimethoxynaphthalene-1-carbonitrile (CID 67115291) is 6,7-dimethoxynaphthalene-1-carbonitrile.
What is the SMILES notation for 6,7-dimethoxynaphthalene-1-carbonitrile?
The canonical SMILES for 6,7-dimethoxynaphthalene-1-carbonitrile is COc1cc2cccc(C#N)c2cc1OC.
What is the InChIKey of 6,7-dimethoxynaphthalene-1-carbonitrile?
The InChIKey is XRKMFEOZAIPUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2/c1-15-12-6-9-4-3-5-10(8-14)11(9)7-13(12)16-2/h3-7H,1-2H3.
What are the key properties of 6,7-dimethoxynaphthalene-1-carbonitrile?
6,7-dimethoxynaphthalene-1-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxynaphthalene-1-carbonitrile is sourced from PubChem (CID 67115291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).