2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine

C18H13NO2S — CID 46229578

IUPAC2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccco2)n1
InChIInChI=1S/C18H13NO2S/c1-12-5-8-22-18(12)16-10-14(13-4-7-20-11-13)9-15(19-16)17-3-2-6-21-17/h2-11H,1H3
InChIKeyLGZMBKHTWNQOAD-UHFFFAOYSA-N
MW307.37 g/mol
LogP5.64
Rot. Bonds3

About 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine

2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine (PubChem CID 46229578) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine.

Molecular Properties

Compound Name2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
PubChem CID46229578
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine
SMILESCc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccco2)n1
InChIInChI=1S/C18H13NO2S/c1-12-5-8-22-18(12)16-10-14(13-4-7-20-11-13)9-15(19-16)17-3-2-6-21-17/h2-11H,1H3
InChIKeyLGZMBKHTWNQOAD-UHFFFAOYSA-N
XLogP5.64
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.37
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine?
The IUPAC name of 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine (CID 46229578) is 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine.
What is the SMILES notation for 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine?
The canonical SMILES for 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine is Cc1ccsc1-c1cc(-c2ccoc2)cc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine?
The InChIKey is LGZMBKHTWNQOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c1-12-5-8-22-18(12)16-10-14(13-4-7-20-11-13)9-15(19-16)17-3-2-6-21-17/h2-11H,1H3.
What are the key properties of 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine?
2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine has a molecular weight of 307.37 g/mol, XLogP of 5.64, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-4-(furan-3-yl)-6-(3-methylthiophen-2-yl)pyridine is sourced from PubChem (CID 46229578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).