4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde

C15H10FNO2S2 — CID 86631604

IUPAC4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde
SMILESCc1occc1Sc1sc(C=O)cc1-c1cccnc1F
InChIInChI=1S/C15H10FNO2S2/c1-9-13(4-6-19-9)21-15-12(7-10(8-18)20-15)11-3-2-5-17-14(11)16/h2-8H,1H3
InChIKeyVIRSQQYNQAEXHU-UHFFFAOYSA-N
MW319.38 g/mol
LogP4.81
Rot. Bonds4

About 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde

4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde (PubChem CID 86631604) has the molecular formula C15H10FNO2S2 and a molecular weight of 319.38 g/mol. Its IUPAC name is 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde
PubChem CID86631604
Molecular FormulaC15H10FNO2S2
Molecular Weight319.38 g/mol
Exact Mass319.01
IUPAC Name4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde
SMILESCc1occc1Sc1sc(C=O)cc1-c1cccnc1F
InChIInChI=1S/C15H10FNO2S2/c1-9-13(4-6-19-9)21-15-12(7-10(8-18)20-15)11-3-2-5-17-14(11)16/h2-8H,1H3
InChIKeyVIRSQQYNQAEXHU-UHFFFAOYSA-N
XLogP4.81
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde?
The IUPAC name of 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde (CID 86631604) is 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde.
What is the SMILES notation for 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde?
The canonical SMILES for 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde is Cc1occc1Sc1sc(C=O)cc1-c1cccnc1F.
What is the InChIKey of 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde?
The InChIKey is VIRSQQYNQAEXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO2S2/c1-9-13(4-6-19-9)21-15-12(7-10(8-18)20-15)11-3-2-5-17-14(11)16/h2-8H,1H3.
What are the key properties of 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde?
4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde has a molecular weight of 319.38 g/mol, XLogP of 4.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-3-pyridinyl)-5-(2-methylfuran-3-yl)sulfanylthiophene-2-carbaldehyde is sourced from PubChem (CID 86631604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).