5-methoxynaphthalene-2-carbonitrile

C12H9NO — CID 22243517

IUPAC5-methoxynaphthalene-2-carbonitrile
SMILESCOc1cccc2cc(C#N)ccc12
InChIInChI=1S/C12H9NO/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h2-7H,1H3
InChIKeySZIXGQQWKQBXSX-UHFFFAOYSA-N
MW183.21 g/mol
LogP2.72
Rot. Bonds1

About 5-methoxynaphthalene-2-carbonitrile

5-methoxynaphthalene-2-carbonitrile (PubChem CID 22243517) has the molecular formula C12H9NO and a molecular weight of 183.21 g/mol. Its IUPAC name is 5-methoxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name5-methoxynaphthalene-2-carbonitrile
PubChem CID22243517
Molecular FormulaC12H9NO
Molecular Weight183.21 g/mol
Exact Mass183.07
IUPAC Name5-methoxynaphthalene-2-carbonitrile
SMILESCOc1cccc2cc(C#N)ccc12
InChIInChI=1S/C12H9NO/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h2-7H,1H3
InChIKeySZIXGQQWKQBXSX-UHFFFAOYSA-N
XLogP2.72
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 57464318
CID 57464318
5-(difluoromethoxy)naphthalene-2-carbonitrile
CID 133084193
5-(4-fluoro-2-hydroxyphenoxy)naphthalene-2-carbonitrile
CID 118005885
3-(8-methoxyisoquinolin-2-ium-2-yl)benzonitrile
CID 162666086
6-hydroxy-5-methoxynaphthalene-2-carbonitrile
CID 121009112
4-[(2,6-dimethoxyphenoxy)methyl]-3-methylbenzonitrile
CID 114481454
6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
4-[2-(2,6-dimethoxyphenoxy)ethoxy]benzonitrile
CID 51142108
5-(oxan-2-yloxy)naphthalene-2-carbonitrile
CID 67656854
4-amino-3-(2-methoxyphenoxy)benzonitrile
CID 113444296
6-cyanonaphthalene-1-carboxylic acid
CID 22622245
6-hydroxy-7-methoxynaphthalene-2-carbonitrile
CID 121009113

Frequently Asked Questions

What is the IUPAC name of 5-methoxynaphthalene-2-carbonitrile?
The IUPAC name of 5-methoxynaphthalene-2-carbonitrile (CID 22243517) is 5-methoxynaphthalene-2-carbonitrile.
What is the SMILES notation for 5-methoxynaphthalene-2-carbonitrile?
The canonical SMILES for 5-methoxynaphthalene-2-carbonitrile is COc1cccc2cc(C#N)ccc12.
What is the InChIKey of 5-methoxynaphthalene-2-carbonitrile?
The InChIKey is SZIXGQQWKQBXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO/c1-14-12-4-2-3-10-7-9(8-13)5-6-11(10)12/h2-7H,1H3.
What are the key properties of 5-methoxynaphthalene-2-carbonitrile?
5-methoxynaphthalene-2-carbonitrile has a molecular weight of 183.21 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxynaphthalene-2-carbonitrile is sourced from PubChem (CID 22243517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).