5-pyridin-2-ylsulfanylfuran-2-carbaldehyde

C10H7NO2S — CID 2794784

IUPAC5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ccccn2)o1
InChIInChI=1S/C10H7NO2S/c12-7-8-4-5-10(13-8)14-9-3-1-2-6-11-9/h1-7H
InChIKeyNWJZBQDKKLHSBP-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.64
Rot. Bonds3

About 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde

5-pyridin-2-ylsulfanylfuran-2-carbaldehyde (PubChem CID 2794784) has the molecular formula C10H7NO2S and a molecular weight of 205.24 g/mol. Its IUPAC name is 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
PubChem CID2794784
Molecular FormulaC10H7NO2S
Molecular Weight205.24 g/mol
Exact Mass205.02
IUPAC Name5-pyridin-2-ylsulfanylfuran-2-carbaldehyde
SMILESO=Cc1ccc(Sc2ccccn2)o1
InChIInChI=1S/C10H7NO2S/c12-7-8-4-5-10(13-8)14-9-3-1-2-6-11-9/h1-7H
InChIKeyNWJZBQDKKLHSBP-UHFFFAOYSA-N
XLogP2.64
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(NE)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]hydroxylamine
CID 171980324
(E)-1-(5-pyridin-2-ylsulfanylfuran-2-yl)-N-(1,2,4-triazol-4-yl)methanimine
CID 171980105
5-pyridin-2-ylsulfanylfuran-2-carboxylic acid
CID 676679
5-(2-aminophenyl)sulfanylfuran-2-carbaldehyde
CID 175371800
2-methyl-3-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 23738244
3-bromo-N-[(Z)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 5435224
2-nitro-N-[(E)-(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]benzamide
CID 51660057
3,5-difluoro-4-pyridin-2-ylsulfanylbenzaldehyde
CID 63803191
2-(2-methylphenoxy)-N-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylideneamino]acetamide
CID 1040366
5-(1H-benzimidazol-2-ylsulfanyl)furan-2-carbaldehyde
CID 698427
(5Z)-2-(3,5-dimethylphenyl)imino-5-[(5-pyridin-2-ylsulfanylfuran-2-yl)methylidene]-1,3-thiazolidin-4-one
CID 137035869
5-(4,5,6-trimethylpyrimidin-2-yl)sulfanylfuran-2-carbaldehyde
CID 65041485

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde?
The IUPAC name of 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde (CID 2794784) is 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde.
What is the SMILES notation for 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde?
The canonical SMILES for 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde is O=Cc1ccc(Sc2ccccn2)o1.
What is the InChIKey of 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde?
The InChIKey is NWJZBQDKKLHSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S/c12-7-8-4-5-10(13-8)14-9-3-1-2-6-11-9/h1-7H.
What are the key properties of 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde?
5-pyridin-2-ylsulfanylfuran-2-carbaldehyde has a molecular weight of 205.24 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-2-ylsulfanylfuran-2-carbaldehyde is sourced from PubChem (CID 2794784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).