6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde

C13H13NO2 — CID 72547952

IUPAC6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde
SMILESCN(C)c1ccc2cc(C=O)c(O)cc2c1
InChIInChI=1S/C13H13NO2/c1-14(2)12-4-3-9-5-11(8-15)13(16)7-10(9)6-12/h3-8,16H,1-2H3
InChIKeyQXOHWTKHBAGPPA-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.42
Rot. Bonds2

About 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde

6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde (PubChem CID 72547952) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde
PubChem CID72547952
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde
SMILESCN(C)c1ccc2cc(C=O)c(O)cc2c1
InChIInChI=1S/C13H13NO2/c1-14(2)12-4-3-9-5-11(8-15)13(16)7-10(9)6-12/h3-8,16H,1-2H3
InChIKeyQXOHWTKHBAGPPA-UHFFFAOYSA-N
XLogP2.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde?
The IUPAC name of 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde (CID 72547952) is 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde?
The canonical SMILES for 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde is CN(C)c1ccc2cc(C=O)c(O)cc2c1.
What is the InChIKey of 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde?
The InChIKey is QXOHWTKHBAGPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-14(2)12-4-3-9-5-11(8-15)13(16)7-10(9)6-12/h3-8,16H,1-2H3.
What are the key properties of 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde?
6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde has a molecular weight of 215.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-hydroxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 72547952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).