2,3-dimethoxynaphthalene-1-carbonitrile

C13H11NO2 — CID 177120866

IUPAC2,3-dimethoxynaphthalene-1-carbonitrile
SMILESCOc1cc2ccccc2c([11C]#N)c1OC
InChIInChI=1S/C13H11NO2/c1-15-12-7-9-5-3-4-6-10(9)11(8-14)13(12)16-2/h3-7H,1-2H3/i8-1
InChIKeyKAQBZTVFONGPRO-COJKEBBMSA-N
MW212.24 g/mol
LogP2.73
Rot. Bonds2

About 2,3-dimethoxynaphthalene-1-carbonitrile

2,3-dimethoxynaphthalene-1-carbonitrile (PubChem CID 177120866) has the molecular formula C13H11NO2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,3-dimethoxynaphthalene-1-carbonitrile.

Molecular Properties

Compound Name2,3-dimethoxynaphthalene-1-carbonitrile
PubChem CID177120866
Molecular FormulaC13H11NO2
Molecular Weight212.24 g/mol
Exact Mass212.09
IUPAC Name2,3-dimethoxynaphthalene-1-carbonitrile
SMILESCOc1cc2ccccc2c([11C]#N)c1OC
InChIInChI=1S/C13H11NO2/c1-15-12-7-9-5-3-4-6-10(9)11(8-14)13(12)16-2/h3-7H,1-2H3/i8-1
InChIKeyKAQBZTVFONGPRO-COJKEBBMSA-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 ≤ 500212.24
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,3-dimethoxynaphthalen-1-yl)-4-[4-[4-[4-[4-[4-(2,3-dimethoxynaphthalen-1-yl)-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalen-1-yl]-2,3-dimethoxynaphthalene
CID 102019300
3,4,5-trimethoxybenzene-1,2-dicarbonitrile
CID 162965127
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
2-methoxynaphthalene-1,4-dicarbonitrile
CID 169050362
2-[2-(2-methoxyphenoxy)ethoxy]naphthalene-1-carbonitrile
CID 20994075
3-(methoxymethyl)-2-methylnaphthalene-1-carbonitrile
CID 12949506
1-methoxy-3-(4-methoxynaphthalen-2-yl)oxynaphthalene
CID 21195641
11,15-dimethoxy-2,13-diazapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1,3(12),4,6,8,10,13,15,17,19,21-undecaene
CID 102337988
5-bromo-2,3-dimethoxy-6-methylbenzonitrile
CID 117393170
(NE)-N-[(2,3-dimethoxynaphthalen-1-yl)methylidene]hydroxylamine
CID 22397383
5-methoxybenzo[c]phenanthrene
CID 621003
5-methoxynaphthalene-2-carbonitrile
CID 22243517

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxynaphthalene-1-carbonitrile?
The IUPAC name of 2,3-dimethoxynaphthalene-1-carbonitrile (CID 177120866) is 2,3-dimethoxynaphthalene-1-carbonitrile.
What is the SMILES notation for 2,3-dimethoxynaphthalene-1-carbonitrile?
The canonical SMILES for 2,3-dimethoxynaphthalene-1-carbonitrile is COc1cc2ccccc2c([11C]#N)c1OC.
What is the InChIKey of 2,3-dimethoxynaphthalene-1-carbonitrile?
The InChIKey is KAQBZTVFONGPRO-COJKEBBMSA-N. The full InChI is InChI=1S/C13H11NO2/c1-15-12-7-9-5-3-4-6-10(9)11(8-14)13(12)16-2/h3-7H,1-2H3/i8-1.
What are the key properties of 2,3-dimethoxynaphthalene-1-carbonitrile?
2,3-dimethoxynaphthalene-1-carbonitrile has a molecular weight of 212.24 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 2,3-dimethoxynaphthalene-1-carbonitrile is sourced from PubChem (CID 177120866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).