3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde

C11H9NO3 — CID 59553034

IUPAC3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
SMILESNc1c(C=O)c(O)c2ccccc2c1O
InChIInChI=1S/C11H9NO3/c12-9-8(5-13)10(14)6-3-1-2-4-7(6)11(9)15/h1-5,14-15H,12H2
InChIKeyUUSGZVVOHIFUCY-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.65
Rot. Bonds1

About 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde

3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde (PubChem CID 59553034) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde.

Molecular Properties

Compound Name3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
PubChem CID59553034
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
SMILESNc1c(C=O)c(O)c2ccccc2c1O
InChIInChI=1S/C11H9NO3/c12-9-8(5-13)10(14)6-3-1-2-4-7(6)11(9)15/h1-5,14-15H,12H2
InChIKeyUUSGZVVOHIFUCY-UHFFFAOYSA-N
XLogP1.65
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde?
The IUPAC name of 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde (CID 59553034) is 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde.
What is the SMILES notation for 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde?
The canonical SMILES for 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde is Nc1c(C=O)c(O)c2ccccc2c1O.
What is the InChIKey of 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde?
The InChIKey is UUSGZVVOHIFUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-9-8(5-13)10(14)6-3-1-2-4-7(6)11(9)15/h1-5,14-15H,12H2.
What are the key properties of 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde?
3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde has a molecular weight of 203.20 g/mol, XLogP of 1.65, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde is sourced from PubChem (CID 59553034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).