5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde

C10H7NO2S — CID 53229257

IUPAC5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(=O)cc[nH]2)s1
InChIInChI=1S/C10H7NO2S/c12-6-8-1-2-10(14-8)9-5-7(13)3-4-11-9/h1-6H,(H,11,13)
InChIKeyNGXRRRMOFOLUSY-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.92
Rot. Bonds2

About 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde

5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde (PubChem CID 53229257) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde
PubChem CID53229257
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2cc(=O)cc[nH]2)s1
InChIInChI=1S/C10H7NO2S/c12-6-8-1-2-10(14-8)9-5-7(13)3-4-11-9/h1-6H,(H,11,13)
InChIKeyNGXRRRMOFOLUSY-UHFFFAOYSA-N
XLogP1.92
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 51.92
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 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde?
The IUPAC name of 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde (CID 53229257) is 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde.
What is the SMILES notation for 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde?
The canonical SMILES for 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde is O=Cc1ccc(-c2cc(=O)cc[nH]2)s1.
What is the InChIKey of 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde?
The InChIKey is NGXRRRMOFOLUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-6-8-1-2-10(14-8)9-5-7(13)3-4-11-9/h1-6H,(H,11,13).
What are the key properties of 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde?
5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde has a molecular weight of 205.24 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-oxo-1H-pyridin-2-yl)thiophene-2-carbaldehyde is sourced from PubChem (CID 53229257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).