2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine

C12H13NOS — CID 20560369

IUPAC2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine
SMILESc1ccc(CCSCc2ccco2)nc1
InChIInChI=1S/C12H13NOS/c1-2-7-13-11(4-1)6-9-15-10-12-5-3-8-14-12/h1-5,7-8H,6,9-10H2
InChIKeyKETCYGLMLBUQDW-UHFFFAOYSA-N
MW219.31 g/mol
LogP3.15
Rot. Bonds5

About 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine

2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine (PubChem CID 20560369) has the molecular formula C12H13NOS and a molecular weight of 219.31 g/mol. Its IUPAC name is 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine
PubChem CID20560369
Molecular FormulaC12H13NOS
Molecular Weight219.31 g/mol
Exact Mass219.07
IUPAC Name2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine
SMILESc1ccc(CCSCc2ccco2)nc1
InChIInChI=1S/C12H13NOS/c1-2-7-13-11(4-1)6-9-15-10-12-5-3-8-14-12/h1-5,7-8H,6,9-10H2
InChIKeyKETCYGLMLBUQDW-UHFFFAOYSA-N
XLogP3.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-Furan-2-yl-3-pyridin-2-yl-propenone
CID 10012992
3-(Furan-2-yl)-1-(pyridin-3-yl)prop-2-en-1-one
CID 5915551
(2E)-3-(furan-2-yl)-1-(pyridin-2-yl)prop-2-en-1-one
CID 5854189
(5Z)-5-(furan-2-ylmethylidene)-3-pyridin-3-yl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1591868
(E)-3-(furan-2-yl)-N-(pyridin-2-ylmethyl)acrylamide
CID 2117442
Pyridine, 2-(2-(2-furyl)vinyl)-
CID 5875491
Pyrazine, 2-[[(2-furanylmethyl)thio]methyl]-
CID 100931
N-(2-furylmethyl)-2-(2-pyridinyl)ethanamine
CID 238327
2,6-Di-[2-(furan-2-yl)vinyl]pyridine
CID 5471824
5-(2-Pyridinylsulfanyl)-2-furaldehyde
CID 2794784
(E)-3-Furan-3-yl-1-pyridin-2-yl-propenone
CID 11506646
2-[(E)-2-(furan-2-yl)ethenyl]-1-methylpyridin-1-ium iodide
CID 16413834

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine?
The IUPAC name of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine (CID 20560369) is 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine?
The canonical SMILES for 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine is c1ccc(CCSCc2ccco2)nc1.
What is the InChIKey of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine?
The InChIKey is KETCYGLMLBUQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NOS/c1-2-7-13-11(4-1)6-9-15-10-12-5-3-8-14-12/h1-5,7-8H,6,9-10H2.
What are the key properties of 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine?
2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine has a molecular weight of 219.31 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-ylmethylsulfanyl)ethyl]pyridine is sourced from PubChem (CID 20560369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).