5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde

C11H9NO2S — CID 164648722

IUPAC5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde
SMILESCOc1cccnc1-c1ccc(C=O)s1
InChIInChI=1S/C11H9NO2S/c1-14-9-3-2-6-12-11(9)10-5-4-8(7-13)15-10/h2-7H,1H3
InChIKeyXDYBQFOHRKGTQL-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.63
Rot. Bonds3

About 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde

5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde (PubChem CID 164648722) has the molecular formula C11H9NO2S and a molecular weight of 219.27 g/mol. Its IUPAC name is 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde
PubChem CID164648722
Molecular FormulaC11H9NO2S
Molecular Weight219.27 g/mol
Exact Mass219.04
IUPAC Name5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde
SMILESCOc1cccnc1-c1ccc(C=O)s1
InChIInChI=1S/C11H9NO2S/c1-14-9-3-2-6-12-11(9)10-5-4-8(7-13)15-10/h2-7H,1H3
InChIKeyXDYBQFOHRKGTQL-UHFFFAOYSA-N
XLogP2.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde (CID 164648722) is 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde is COc1cccnc1-c1ccc(C=O)s1.
What is the InChIKey of 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde?
The InChIKey is XDYBQFOHRKGTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2S/c1-14-9-3-2-6-12-11(9)10-5-4-8(7-13)15-10/h2-7H,1H3.
What are the key properties of 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde?
5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde has a molecular weight of 219.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxy-2-pyridinyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 164648722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).