1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile

C14H11NO3 — CID 130385244

IUPAC1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile
SMILESCOc1cc2ccc(C#N)c(C=O)c2cc1OC
InChIInChI=1S/C14H11NO3/c1-17-13-5-9-3-4-10(7-15)12(8-16)11(9)6-14(13)18-2/h3-6,8H,1-2H3
InChIKeyQRTNOEFKTLMFBE-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.54
Rot. Bonds3

About 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile

1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile (PubChem CID 130385244) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile
PubChem CID130385244
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile
SMILESCOc1cc2ccc(C#N)c(C=O)c2cc1OC
InChIInChI=1S/C14H11NO3/c1-17-13-5-9-3-4-10(7-15)12(8-16)11(9)6-14(13)18-2/h3-6,8H,1-2H3
InChIKeyQRTNOEFKTLMFBE-UHFFFAOYSA-N
XLogP2.54
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6,7-dimethoxynaphthalene-1-carbonitrile
CID 67115291
(1-formyl-6,7-dimethoxynaphthalen-2-yl)boronic acid
CID 18399681
2-formyl-3-methoxybenzonitrile
CID 122401577
2-fluoro-3-formyl-4-methoxybenzonitrile
CID 131267747
3-cyano-2-formyl-6-methoxybenzamide
CID 171013227
3,4-diformyl-2-methoxybenzonitrile
CID 171028234
2,7-dimethoxy-6-methylsulfonylnaphthalene-1-carbaldehyde
CID 130391944
5-acetyl-2-formyl-3-methoxybenzonitrile
CID 171013495
5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
4-(4-formyl-2-methoxyphenoxy)benzene-1,2-dicarbonitrile
CID 16762075
5-formyl-2-hydroxy-3-methoxybenzonitrile
CID 18359065
2,6-dimethoxynaphthalene-1-carbaldehyde
CID 12583354

Frequently Asked Questions

What is the IUPAC name of 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile?
The IUPAC name of 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile (CID 130385244) is 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile.
What is the SMILES notation for 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile?
The canonical SMILES for 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile is COc1cc2ccc(C#N)c(C=O)c2cc1OC.
What is the InChIKey of 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile?
The InChIKey is QRTNOEFKTLMFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c1-17-13-5-9-3-4-10(7-15)12(8-16)11(9)6-14(13)18-2/h3-6,8H,1-2H3.
What are the key properties of 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile?
1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile has a molecular weight of 241.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-6,7-dimethoxynaphthalene-2-carbonitrile is sourced from PubChem (CID 130385244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).