1,5-dimethoxynaphthalene-2,6-dicarbonitrile

C14H10N2O2 — CID 169050323

IUPAC1,5-dimethoxynaphthalene-2,6-dicarbonitrile
SMILESCOc1c(C#N)ccc2c(OC)c(C#N)ccc12
InChIInChI=1S/C14H10N2O2/c1-17-13-9(7-15)3-6-12-11(13)5-4-10(8-16)14(12)18-2/h3-6H,1-2H3
InChIKeyVGFLXXGCLJIBAB-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.60
Rot. Bonds2

About 1,5-dimethoxynaphthalene-2,6-dicarbonitrile

1,5-dimethoxynaphthalene-2,6-dicarbonitrile (PubChem CID 169050323) has the molecular formula C14H10N2O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1,5-dimethoxynaphthalene-2,6-dicarbonitrile.

Molecular Properties

Compound Name1,5-dimethoxynaphthalene-2,6-dicarbonitrile
PubChem CID169050323
Molecular FormulaC14H10N2O2
Molecular Weight238.25 g/mol
Exact Mass238.07
IUPAC Name1,5-dimethoxynaphthalene-2,6-dicarbonitrile
SMILESCOc1c(C#N)ccc2c(OC)c(C#N)ccc12
InChIInChI=1S/C14H10N2O2/c1-17-13-9(7-15)3-6-12-11(13)5-4-10(8-16)14(12)18-2/h3-6H,1-2H3
InChIKeyVGFLXXGCLJIBAB-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 1,5-dimethoxynaphthalene-2,6-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

3,4-diamino-2-methoxybenzonitrile
CID 67059560
3-hydroxy-2-methoxy-4-methylbenzonitrile
CID 117276163
4-fluoro-2-methoxybenzene-1,3-dicarbonitrile
CID 118901962
2,3-dimethoxy-4-(trifluoromethyl)benzonitrile
CID 117333541
4-bromo-3-hydroxy-2-methoxybenzonitrile
CID 117328110
3-fluoro-4-hydroxy-2-methoxybenzonitrile
CID 117276441
3,4-diformyl-2-methoxybenzonitrile
CID 171028234
2,4-dimethoxy-3-methylsulfanylbenzonitrile
CID 117298729
3-chloro-2-methoxybenzonitrile
CID 82652815
2,4-difluoro-3-methoxybenzonitrile
CID 3862763
4-methoxy-2,3-dihydro-1H-isoindole-5-carbonitrile
CID 130064527
2-chloro-3-methoxy-4-methylbenzonitrile
CID 117278975

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethoxynaphthalene-2,6-dicarbonitrile?
The IUPAC name of 1,5-dimethoxynaphthalene-2,6-dicarbonitrile (CID 169050323) is 1,5-dimethoxynaphthalene-2,6-dicarbonitrile.
What is the SMILES notation for 1,5-dimethoxynaphthalene-2,6-dicarbonitrile?
The canonical SMILES for 1,5-dimethoxynaphthalene-2,6-dicarbonitrile is COc1c(C#N)ccc2c(OC)c(C#N)ccc12.
What is the InChIKey of 1,5-dimethoxynaphthalene-2,6-dicarbonitrile?
The InChIKey is VGFLXXGCLJIBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O2/c1-17-13-9(7-15)3-6-12-11(13)5-4-10(8-16)14(12)18-2/h3-6H,1-2H3.
What are the key properties of 1,5-dimethoxynaphthalene-2,6-dicarbonitrile?
1,5-dimethoxynaphthalene-2,6-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 1,5-dimethoxynaphthalene-2,6-dicarbonitrile is sourced from PubChem (CID 169050323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).