5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde

C11H9NO2S — CID 18185914

IUPAC5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
SMILESNc1ccc(O)c(-c2cc(C=O)cs2)c1
InChIInChI=1S/C11H9NO2S/c12-8-1-2-10(14)9(4-8)11-3-7(5-13)6-15-11/h1-6,14H,12H2
InChIKeyVYFYHMVYDSALAA-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.52
Rot. Bonds2

About 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde

5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde (PubChem CID 18185914) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde.

Molecular Properties

Compound Name5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
PubChem CID18185914
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde
SMILESNc1ccc(O)c(-c2cc(C=O)cs2)c1
InChIInChI=1S/C11H9NO2S/c12-8-1-2-10(14)9(4-8)11-3-7(5-13)6-15-11/h1-6,14H,12H2
InChIKeyVYFYHMVYDSALAA-UHFFFAOYSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
The IUPAC name of 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde (CID 18185914) is 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde.
What is the SMILES notation for 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
The canonical SMILES for 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde is Nc1ccc(O)c(-c2cc(C=O)cs2)c1.
What is the InChIKey of 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
The InChIKey is VYFYHMVYDSALAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c12-8-1-2-10(14)9(4-8)11-3-7(5-13)6-15-11/h1-6,14H,12H2.
What are the key properties of 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde?
5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-amino-2-hydroxyphenyl)thiophene-3-carbaldehyde is sourced from PubChem (CID 18185914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).